1,2,3,4,7,12,12b,13-Octahydroindolo(2',3':3,4)pyrido(1,2-a)quinolin-14(6H)-one

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Basic information

CAS: 4138-53-8
Standard SMILES: O=C1CC2c3[nH]c4ccccc4c3CCN2C2=C1CCCC2
InChIKey: BLVVEUZLBYQHQX-UHFFFAOYSA-N
Molecular formula: C19H20N2O
Average molar mass: 292.4 g/mol
Monoisotopic mass: 292.15756327

Names & identifiers

Preferred name: 1,2,3,4,7,12,12b,13-Octahydroindolo(2',3':3,4)pyrido(1,2-a)quinolin-14(6H)-one
IUPAC: 3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4,6,8,14(19)-pentaen-20-one

Names & synonyms

4138-53-81,2,3,4,7,12,12b,13-Octahydroindolo(2',3':3,4)pyrido(1,2-a)quinolin-14(6H)-oneNSC150990NSC 1509901,2,3,4,7,12,12b,13-Octahydroindolo[2',3':3,4]pyrido[1,2-a]quinolin-14(6H)-oneNSC-150990

Database identifiers

CAS: 4138-53-8
PubChem CID: 289284

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 36.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 22
Formal charge: 0
Complexity: 526

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Compound notes

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