8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione

C17H13NO2 — CID 57212353

IUPAC8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione
SMILESCc1ccc2c(-c3ccccc3)cc(=O)c(=O)[nH]c2c1
InChIInChI=1S/C17H13NO2/c1-11-7-8-13-14(12-5-3-2-4-6-12)10-16(19)17(20)18-15(13)9-11/h2-10H,1H3,(H,18,19,20)
InChIKeyQOJZBZRBDJWMAN-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.86
Rot. Bonds1

About 8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione

8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione (PubChem CID 57212353) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione.

Molecular Properties

Compound Name8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione
PubChem CID57212353
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione
SMILESCc1ccc2c(-c3ccccc3)cc(=O)c(=O)[nH]c2c1
InChIInChI=1S/C17H13NO2/c1-11-7-8-13-14(12-5-3-2-4-6-12)10-16(19)17(20)18-15(13)9-11/h2-10H,1H3,(H,18,19,20)
InChIKeyQOJZBZRBDJWMAN-UHFFFAOYSA-N
XLogP2.86
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione 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

3-methyl-5H-phenanthridin-6-one
CID 59877971
7-methyl-3-phenyl-1H-quinolin-4-one
CID 59110346
6,8-dimethyl-1H-1-benzazepine-2,3-dione
CID 23354339
5,7-dimethyl-3-(4-methylphenyl)-1H-quinolin-2-one
CID 21135871
1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone
CID 139093839
3,6-dimethyl-1-phenylnaphthalene
CID 123256332
8-methyl-5H-phenanthridin-6-one
CID 102200304
6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole
CID 166069538
6-methyl-3-[4-(4-methylphenyl)quinolin-2-yl]-4-phenyl-1H-quinolin-2-one
CID 56689455
2,7-dimethyl-1,4-diphenylnaphthalene
CID 46919192
6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole
CID 138969708
7-methyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid
CID 84631846

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione?
The IUPAC name of 8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione (CID 57212353) is 8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione.
What is the SMILES notation for 8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione?
The canonical SMILES for 8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione is Cc1ccc2c(-c3ccccc3)cc(=O)c(=O)[nH]c2c1.
What is the InChIKey of 8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione?
The InChIKey is QOJZBZRBDJWMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-11-7-8-13-14(12-5-3-2-4-6-12)10-16(19)17(20)18-15(13)9-11/h2-10H,1H3,(H,18,19,20).
What are the key properties of 8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione?
8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione has a molecular weight of 263.30 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione is sourced from PubChem (CID 57212353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).