Chemical Components in the PDB

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SQO : Summary

Code

SQO

One-letter code

X

Molecule name

2-{[2-(4-Morpholinyl)ethyl]amino}-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

Systematic names

ProgramVersionName
ACDLabs 10.04 2-[(2-morpholin-4-ylethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
OpenEye OEToolkits 1.5.0 2-(2-morpholin-4-ylethylamino)-1,7-dihydropyrimido[6,5-f]benzimidazol-8-one

Formula

C15 H18 N6 O2

Formal charge

0

Molecular weight

314.342 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1c2cc3nc(nc3cc2N=CN1)NCCN4CCOCC4
SMILES CACTVS 3.341 O=C1NC=Nc2cc3nc(NCCN4CCOCC4)[nH]c3cc12
SMILES OpenEye OEToolkits 1.5.0 c1c2c(cc3c1[nH]c(n3)NCCN4CCOCC4)N=CNC2=O
Canonical SMILES CACTVS 3.341 O=C1NC=Nc2cc3nc(NCCN4CCOCC4)[nH]c3cc12
Canonical SMILES OpenEye OEToolkits 1.5.0 c1c2c(cc3c1[nH]c(n3)NCCN4CCOCC4)N=CNC2=O

IUPAC InChI

InChI=1S/C15H18N6O2/c22-14-10-7-12-13(8-11(10)17-9-18-14)20-15(19-12)16-1-2-21-3-5-23-6-4-21/h7-9H,1-6H2,(H2,16,19,20)(H,17,18,22)

IUPAC InChI key

IQPSZZDLHUVVGO-UHFFFAOYSA-N
SQO

wwPDB Information

Atom count

41 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-03-04

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned