7-Carbamoyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one

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Basic information

CAS: 140413-32-7
Standard SMILES: Cc1cc2c(c(C(N)=O)c1)N(C)C(=O)c1cccnc1O2
InChIKey: DHIHZKCNOJLXKW-UHFFFAOYSA-N
Molecular formula: C15H13N3O3
Average molar mass: 283.28 g/mol
Monoisotopic mass: 283.09569129

Names & identifiers

Preferred name: 7-Carbamoyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
IUPAC: 6,9-dimethyl-5-oxopyrido[2,3-b][1,5]benzoxazepine-7-carboxamide

Names & synonyms

140413-32-77NH2CO-6,9-diMe-PBOA-5one7-Carbamoyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one7-Carbamoyl-6,9-dimethyl-pyrido[2,3-b][1,5]benzoxazepin-5(6H)-oneCHEMBL294854DTXSID801613806,9-dimethyl-5-oxo-pyrido[2,3-b][1,5]benzoxazepine-7-carboxamide6,9-Dimethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzoxazepine-7-carboxamide

Database identifiers

CAS: 140413-32-7
PubChem CID: 453989
DTXSID: DTXSID80161380
ChEMBL: CHEMBL294854
Nikkaji: J474.996K

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 85.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 21
Formal charge: 0
Complexity: 442

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Compound notes

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