7-chloro-5-methoxy-1-methyl-5-phenyl-1,4-benzodiazepin-2-one

C17H15ClN2O2 — CID 3046727

IUPAC7-chloro-5-methoxy-1-methyl-5-phenyl-1,4-benzodiazepin-2-one
SMILESCOC1(c2ccccc2)N=CC(=O)N(C)c2ccc(Cl)cc21
InChIInChI=1S/C17H15ClN2O2/c1-20-15-9-8-13(18)10-14(15)17(22-2,19-11-16(20)21)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyKMXJSNULPWPFAK-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.23
Rot. Bonds2

About 7-chloro-5-methoxy-1-methyl-5-phenyl-1,4-benzodiazepin-2-one

7-chloro-5-methoxy-1-methyl-5-phenyl-1,4-benzodiazepin-2-one (PubChem CID 3046727) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 7-chloro-5-methoxy-1-methyl-5-phenyl-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-5-methoxy-1-methyl-5-phenyl-1,4-benzodiazepin-2-one
PubChem CID3046727
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name7-chloro-5-methoxy-1-methyl-5-phenyl-1,4-benzodiazepin-2-one
SMILESCOC1(c2ccccc2)N=CC(=O)N(C)c2ccc(Cl)cc21
InChIInChI=1S/C17H15ClN2O2/c1-20-15-9-8-13(18)10-14(15)17(22-2,19-11-16(20)21)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyKMXJSNULPWPFAK-UHFFFAOYSA-N
XLogP3.23
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-chloro-5-methoxy-1-methyl-5-phenyl-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 7-chloro-5-methoxy-1-methyl-5-phenyl-1,4-benzodiazepin-2-one?
The IUPAC name of 7-chloro-5-methoxy-1-methyl-5-phenyl-1,4-benzodiazepin-2-one (CID 3046727) is 7-chloro-5-methoxy-1-methyl-5-phenyl-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-5-methoxy-1-methyl-5-phenyl-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-5-methoxy-1-methyl-5-phenyl-1,4-benzodiazepin-2-one is COC1(c2ccccc2)N=CC(=O)N(C)c2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-5-methoxy-1-methyl-5-phenyl-1,4-benzodiazepin-2-one?
The InChIKey is KMXJSNULPWPFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-20-15-9-8-13(18)10-14(15)17(22-2,19-11-16(20)21)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 7-chloro-5-methoxy-1-methyl-5-phenyl-1,4-benzodiazepin-2-one?
7-chloro-5-methoxy-1-methyl-5-phenyl-1,4-benzodiazepin-2-one has a molecular weight of 314.77 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methoxy-1-methyl-5-phenyl-1,4-benzodiazepin-2-one is sourced from PubChem (CID 3046727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).