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CQD : Summary
Code ![](/pdbe/static/images/help.png)
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CQD
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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6-chloro-7-{[2-(morpholin-4-yl)ethyl]amino}quinoline-5,8-dione
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C15 H16 Cl N3 O3
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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321.759 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
ClC=3C(=O)c1cccnc1C(=O)C=3NCCN2CCOCC2 |
SMILES
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CACTVS |
3.370 |
ClC1=C(NCCN2CCOCC2)C(=O)c3ncccc3C1=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
c1cc2c(nc1)C(=O)C(=C(C2=O)Cl)NCCN3CCOCC3 |
Canonical SMILES
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CACTVS |
3.370 |
ClC1=C(NCCN2CCOCC2)C(=O)c3ncccc3C1=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
c1cc2c(nc1)C(=O)C(=C(C2=O)Cl)NCCN3CCOCC3 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-3,18H,4-9H2 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | BMKPVDQDJQWBPD-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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38 (22 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2012-08-28
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Last modified at ![](/pdbe/static/images/help.png)
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2014-07-11
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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