Basic information
- CAS
132687-06-0- Standard SMILES
CCN1c2cc([N+](=O)[O-])ccc2N(C)C(=O)c2cccnc21- InChIKey
YCFJZPGDTZVVSM-UHFFFAOYSA-N- Molecular formula
- C15H14N4O3
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.10659032
Names & identifiers
- Preferred name
- 11-Ethyl-6-methyl-9-nitropyrido(3,2-C)(1,5)benzodiazepin-5-one
- IUPAC
- 11-ethyl-6-methyl-9-nitropyrido[3,2-c][1,5]benzodiazepin-5-one
Names & synonyms
6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE132687-06-0KOO1113T0V11-Ethyl-6-methyl-9-nitropyrido(3,2-C)(1,5)benzodiazepin-5-one6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDOBENZODIAZEPIN-5-ONE5H-PYRIDO(2,3-B)(1,5)BENZODIAZEPIN-5-ONE, 11-ETHYL-6,11-DIHYDRO-6-METHYL-9-NITRO-6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO(2,3-B)(1,5)BENZODIAZEPIN-5-ONE2-ethyl-10-methyl-14-nitro-2,4,10-triazatricyclo(9.4.0.03,?)pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one2-ethyl-10-methyl-14-nitro-2,4,10-triazatricyclo[9.4.0.03,?]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-oneRefChem:437242UNII-KOO1113T0VN11-Ethyl-N6-methyl-9-nitro-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
Show more names
U0511-ethyl-6-methyl-9-nitro-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-oneN11-Ethyl-N6-methyl-9-nitro-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one1rth1051U91CHEMBL71927BDBM1642SCHEMBL8789919
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 453
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
2 records
Compound notes
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