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OUA : Summary
Code
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OUA
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One-letter code
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X
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Molecule name
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7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine
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Systematic names
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Formula
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C16 H16 N4
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Formal charge
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0
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Molecular weight
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264.325 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
Cc3c2ccc(c1cc(CN)cnc1)cc2nc(c3)N |
SMILES
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CACTVS |
3.385 |
Cc1cc(N)nc2cc(ccc12)c3cncc(CN)c3 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N |
Canonical SMILES
|
CACTVS |
3.385 |
Cc1cc(N)nc2cc(ccc12)c3cncc(CN)c3 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N |
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IUPAC InChI | InChI=1S/C16H16N4/c1-10-4-16(18)20-15-6-12(2-3-14(10)15)13-5-11(7-17)8-19-9-13/h2-6,8-9H,7,17H2,1H3,(H2,18,20) |
IUPAC InChI key | HOBAPTQHAPAEBE-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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36 (20 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2019-07-03
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Last modified at
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2020-04-24
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Status
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Released
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Obsoleted
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Not Assigned
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