N6-Methyl-N11-((2-oxoethyl)ethoxy)-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one

HCID 453260
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Basic information

CAS
132686-99-8
Standard SMILES
CCOC(=O)CN1c2ccccc2N(C)C(=O)c2cccnc21
InChIKey
AASJIDSEQRFGHQ-UHFFFAOYSA-N
Molecular formula
C17H17N3O3
Average molar mass
311.33 g/mol
Monoisotopic mass
311.12699141

Names & identifiers

Preferred name
N6-Methyl-N11-((2-oxoethyl)ethoxy)-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
IUPAC
ethyl 2-(6-methyl-5-oxopyrido[3,2-c][1,5]benzodiazepin-11-yl)acetate

Names & synonyms

132686-99-8N6-Methyl-N11-((2-oxoethyl)ethoxy)-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-oneN6-Methyl-N11-[(2-oxoethyl)ethoxy]-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-oneCHEMBL72920SCHEMBL8790064DTXSID20157707AASJIDSEQRFGHQ-UHFFFAOYSA-Nethyl 2-(6-methyl-5-oxo-pyrido[3,2-c][1,5]benzodiazepin-11-yl)acetateEthyl (6-methyl-5-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,5]benzodiazepin-11-yl)acetate5,6-dihydro-11-(ethoxy-carbonyl)methyl-6-methyl-11H-pyrido[2,3-b][1,5]benzodiazepin-5-one

Database identifiers

CAS
132686-99-8
PubChem CID
453260
DTXSID
DTXSID20157707
ChEMBL
CHEMBL72920
Nikkaji
J420.506E

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
62.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
23

Related reactions

2 records
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Compound notes

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