4-hydroxy-7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

C16H14N2O2 — CID 1393266

IUPAC4-hydroxy-7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCc1ccc2c(c1)=C(c1ccccc1)N(O)CC(=O)N=2
InChIInChI=1S/C16H14N2O2/c1-11-7-8-14-13(9-11)16(12-5-3-2-4-6-12)18(20)10-15(19)17-14/h2-9,20H,10H2,1H3
InChIKeyDQEVXHMXTRXYND-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.00
Rot. Bonds1

About 4-hydroxy-7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

4-hydroxy-7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one (PubChem CID 1393266) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-hydroxy-7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name4-hydroxy-7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
PubChem CID1393266
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-hydroxy-7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCc1ccc2c(c1)=C(c1ccccc1)N(O)CC(=O)N=2
InChIInChI=1S/C16H14N2O2/c1-11-7-8-14-13(9-11)16(12-5-3-2-4-6-12)18(20)10-15(19)17-14/h2-9,20H,10H2,1H3
InChIKeyDQEVXHMXTRXYND-UHFFFAOYSA-N
XLogP1.00
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 4-hydroxy-7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one (CID 1393266) is 4-hydroxy-7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 4-hydroxy-7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 4-hydroxy-7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one is Cc1ccc2c(c1)=C(c1ccccc1)N(O)CC(=O)N=2.
What is the InChIKey of 4-hydroxy-7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The InChIKey is DQEVXHMXTRXYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-7-8-14-13(9-11)16(12-5-3-2-4-6-12)18(20)10-15(19)17-14/h2-9,20H,10H2,1H3.
What are the key properties of 4-hydroxy-7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
4-hydroxy-7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one has a molecular weight of 266.30 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 1393266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).