4-Oxo-4,5-dihydro-3h-pyrrolo[2,3-c]quinoline-1-carbonitrile

HCID 12065083

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Basic information

CAS: 503272-04-6
Standard SMILES: N#Cc1c[nH]c2c(=O)[nH]c3ccccc3c12
InChIKey: YDSXLGTVCLPXCL-UHFFFAOYSA-N
Molecular formula: C12H7N3O
Average molar mass: 209.2 g/mol
Monoisotopic mass: 209.05891186

Names & identifiers

Preferred name: 4-Oxo-4,5-dihydro-3h-pyrrolo[2,3-c]quinoline-1-carbonitrile
IUPAC: 4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carbonitrile

Names & synonyms

503272-04-64-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carbonitrile4-oxo-4,5-dihydro-3h-pyrrolo[2,3-c]quinoline-1-carbonitrile4-OXO-3H,4H,5H-PYRROLO[2,3-C]QUINOLINE-1-CARBONITRILESCHEMBL3254445DTXSID904767903H-Pyrrolo[2,3-c]quinoline-1-carbonitrile, 4,5-dihydro-4-oxo-DB-349511

Database identifiers

CAS: 503272-04-6
PubChem CID: 12065083
DTXSID: DTXSID90476790

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 68.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 359

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