6,7-dimethoxy-3,5-dimethyl-1,3-dihydro-1,4-benzodiazepin-2-one

C13H16N2O3 — CID 138007133

IUPAC6,7-dimethoxy-3,5-dimethyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCOc1ccc2c(c1OC)C(C)=NC(C)C(=O)N2
InChIInChI=1S/C13H16N2O3/c1-7-11-9(15-13(16)8(2)14-7)5-6-10(17-3)12(11)18-4/h5-6,8H,1-4H3,(H,15,16)
InChIKeySGWSBKWLOOOXHP-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.85
Rot. Bonds2

About 6,7-dimethoxy-3,5-dimethyl-1,3-dihydro-1,4-benzodiazepin-2-one

6,7-dimethoxy-3,5-dimethyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 138007133) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 6,7-dimethoxy-3,5-dimethyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-3,5-dimethyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID138007133
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name6,7-dimethoxy-3,5-dimethyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCOc1ccc2c(c1OC)C(C)=NC(C)C(=O)N2
InChIInChI=1S/C13H16N2O3/c1-7-11-9(15-13(16)8(2)14-7)5-6-10(17-3)12(11)18-4/h5-6,8H,1-4H3,(H,15,16)
InChIKeySGWSBKWLOOOXHP-UHFFFAOYSA-N
XLogP1.85
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethoxy-3,5-dimethyl-1,3-dihydro-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

Related Compounds

2-(4-methoxy-3-methylphenyl)-4-methyl-1,4-dihydroimidazol-5-one
CID 106952061
2-[(2-methoxyphenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
CID 106952206
2-(4-hydroxy-3-methoxyphenyl)-4-methyl-1,4-dihydroimidazol-5-one
CID 136827204
5,6-dimethoxy-3,8-dimethyl-3H-quinolin-4-one
CID 171373146
2,4-dimethyl-1,4-dihydroimidazol-5-one
CID 11571792
tert-butyl (3S)-3,5-dimethyl-2-oxo-1,3-dihydro-1,4-benzodiazepine-8-carboxylate
CID 137028459
3-[7-(4-chlorophenyl)-6,8-dimethoxy-3-methyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]benzamide
CID 91476999
1,4-dimethoxybenzo[7]annulen-7-one
CID 11042148
5-bromo-4-methoxy-1H-indole-2,3-dione
CID 14595060
2-amino-4-(3,4,5-trimethoxyphenyl)-1,4-dihydroimidazol-5-one
CID 82996110
6,7-dimethoxy-1-methyl-1,3,4,5-tetrahydrobenzo[e]indol-2-one
CID 10563217
7,8-dimethoxy-1H-cinnolin-4-one
CID 86018702

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3,5-dimethyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 6,7-dimethoxy-3,5-dimethyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 138007133) is 6,7-dimethoxy-3,5-dimethyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 6,7-dimethoxy-3,5-dimethyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 6,7-dimethoxy-3,5-dimethyl-1,3-dihydro-1,4-benzodiazepin-2-one is COc1ccc2c(c1OC)C(C)=NC(C)C(=O)N2.
What is the InChIKey of 6,7-dimethoxy-3,5-dimethyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is SGWSBKWLOOOXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-7-11-9(15-13(16)8(2)14-7)5-6-10(17-3)12(11)18-4/h5-6,8H,1-4H3,(H,15,16).
What are the key properties of 6,7-dimethoxy-3,5-dimethyl-1,3-dihydro-1,4-benzodiazepin-2-one?
6,7-dimethoxy-3,5-dimethyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 248.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3,5-dimethyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 138007133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).