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

HCID 453261

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Basic information

CAS
132686-80-7
Standard SMILES
CN1C(=O)c2cccnc2N(CCO)c2ccccc21
InChIKey
WMKDCDDFJCFMMJ-UHFFFAOYSA-N
Molecular formula
C15H15N3O2
Average molar mass
269.3 g/mol
Monoisotopic mass
269.11642673

Names & identifiers

Preferred name
N11-(2-Hydroxyethyl)-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
IUPAC
11-(2-hydroxyethyl)-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one

Names & synonyms

132686-80-7N11-(2-Hydroxyethyl)-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-oneN11-(2-Hydroxyethyl)-N6-methyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-oneCHEMBL308491SCHEMBL8790036DTXSID90157698WMKDCDDFJCFMMJ-UHFFFAOYSA-N6,11-Dihydro-11-(2-hydroxyethyl)-6-methyl-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one11-(2-hydroxyethyl)-6-methyl-pyrido[3,2-c][1,5]benzodiazepin-5-one11-(2-Hydroxyethyl)-6-methyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one

Database identifiers

CAS
132686-80-7
PubChem CID
453261
DTXSID
DTXSID90157698
ChEMBL
CHEMBL308491
Nikkaji
J420.529D

Properties

Computed structural propertiesFilling in

XLogP
1.3
Topological polar surface area
56.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
20

Related reactions

2 records

Compound notes

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