8-methoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one

C16H14N2O2 — CID 4280965

IUPAC8-methoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESCOc1ccc2c(c1)NC(=O)CC(c1ccccc1)=N2
InChIInChI=1S/C16H14N2O2/c1-20-12-7-8-13-15(9-12)18-16(19)10-14(17-13)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19)
InChIKeyQETBUEAWBCRBJW-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.16
Rot. Bonds2

About 8-methoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one

8-methoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one (PubChem CID 4280965) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 8-methoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name8-methoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
PubChem CID4280965
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name8-methoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESCOc1ccc2c(c1)NC(=O)CC(c1ccccc1)=N2
InChIInChI=1S/C16H14N2O2/c1-20-12-7-8-13-15(9-12)18-16(19)10-14(17-13)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19)
InChIKeyQETBUEAWBCRBJW-UHFFFAOYSA-N
XLogP3.16
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-methoxy-4-phenyl-1,3-dihydro-1,5-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 8-methoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 8-methoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one (CID 4280965) is 8-methoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 8-methoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 8-methoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one is COc1ccc2c(c1)NC(=O)CC(c1ccccc1)=N2.
What is the InChIKey of 8-methoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is QETBUEAWBCRBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-12-7-8-13-15(9-12)18-16(19)10-14(17-13)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 8-methoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one?
8-methoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 266.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 4280965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).