9-Amino-N11-ethyl-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one

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Basic information

CAS: 132687-07-1
Standard SMILES: CCN1c2cc(N)ccc2N(C)C(=O)c2cccnc21
InChIKey: ZUKYCLFDJPLTJI-UHFFFAOYSA-N
Molecular formula: C15H16N4O
Average molar mass: 268.31 g/mol
Monoisotopic mass: 268.13241115

Names & identifiers

Preferred name: 9-Amino-N11-ethyl-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
IUPAC: 9-amino-11-ethyl-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one

Names & synonyms

132687-07-19-Amino-N11-ethyl-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one9-Amino-N11-ethyl-N6-methyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one9-amino-11-ethyl-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-oneCHEMBL70324SCHEMBL8790940DTXSID90157714ZUKYCLFDJPLTJI-UHFFFAOYSA-N6,11-dihydro-9-amino-11-ethyl-6-methyl-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one9-amino-11-ethyl-6-methyl-pyrido[3,2-c][1,5]benzodiazepin-5-one9-Amino-11-ethyl-6-methyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one

Database identifiers

CAS: 132687-07-1
PubChem CID: 453282
DTXSID: DTXSID90157714
ChEMBL: CHEMBL70324
Nikkaji: J420.548K

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 62.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 375

Related reactions

2 records

New reaction record

HRID 179743As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1898881As productuspto-grants-1996_11

Compound notes

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