3-(2-hydroxy-2-methylpropanoyl)-11-methyl-2,3-dihydrobenzo[b][1]benzazepine-5,6-dione

C19H19NO4 — CID 70478233

IUPAC3-(2-hydroxy-2-methylpropanoyl)-11-methyl-2,3-dihydrobenzo[b][1]benzazepine-5,6-dione
SMILESCn1c2c(c(=O)c(=O)c3ccccc31)=CC(C(=O)C(C)(C)O)CC=2
InChIInChI=1S/C19H19NO4/c1-19(2,24)18(23)11-8-9-15-13(10-11)17(22)16(21)12-6-4-5-7-14(12)20(15)3/h4-7,9-11,24H,8H2,1-3H3
InChIKeyIAKISAXQXCJRBB-UHFFFAOYSA-N
MW325.36 g/mol
LogP-0.18
Rot. Bonds2

About 3-(2-hydroxy-2-methylpropanoyl)-11-methyl-2,3-dihydrobenzo[b][1]benzazepine-5,6-dione

3-(2-hydroxy-2-methylpropanoyl)-11-methyl-2,3-dihydrobenzo[b][1]benzazepine-5,6-dione (PubChem CID 70478233) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 3-(2-hydroxy-2-methylpropanoyl)-11-methyl-2,3-dihydrobenzo[b][1]benzazepine-5,6-dione.

Molecular Properties

Compound Name3-(2-hydroxy-2-methylpropanoyl)-11-methyl-2,3-dihydrobenzo[b][1]benzazepine-5,6-dione
PubChem CID70478233
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name3-(2-hydroxy-2-methylpropanoyl)-11-methyl-2,3-dihydrobenzo[b][1]benzazepine-5,6-dione
SMILESCn1c2c(c(=O)c(=O)c3ccccc31)=CC(C(=O)C(C)(C)O)CC=2
InChIInChI=1S/C19H19NO4/c1-19(2,24)18(23)11-8-9-15-13(10-11)17(22)16(21)12-6-4-5-7-14(12)20(15)3/h4-7,9-11,24H,8H2,1-3H3
InChIKeyIAKISAXQXCJRBB-UHFFFAOYSA-N
XLogP-0.18
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-hydroxy-2-methylpropanoyl)-11-methyl-2,3-dihydrobenzo[b][1]benzazepine-5,6-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

(2S)-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one
CID 638263
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779
8-methyl-8-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaen-21-one
CID 167125984
ethane;3-hydroxy-1,2-dimethylquinolin-4-one
CID 91289410
2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82242835
1-(2-tert-butyl-1-methylindol-3-yl)ethanone
CID 101348045
10-methyl-2-phenylacridin-9-one
CID 18533849
1-(1-methyl-3-phenylindol-2-yl)ethanone
CID 83919736
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
1-methyl-1,4-benzodiazepine-2,5-dione
CID 22316535
2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one
CID 12884007
2-amino-1-methyl-3-(piperidine-1-carbonyl)quinolin-4-one
CID 13143651

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-methylpropanoyl)-11-methyl-2,3-dihydrobenzo[b][1]benzazepine-5,6-dione?
The IUPAC name of 3-(2-hydroxy-2-methylpropanoyl)-11-methyl-2,3-dihydrobenzo[b][1]benzazepine-5,6-dione (CID 70478233) is 3-(2-hydroxy-2-methylpropanoyl)-11-methyl-2,3-dihydrobenzo[b][1]benzazepine-5,6-dione.
What is the SMILES notation for 3-(2-hydroxy-2-methylpropanoyl)-11-methyl-2,3-dihydrobenzo[b][1]benzazepine-5,6-dione?
The canonical SMILES for 3-(2-hydroxy-2-methylpropanoyl)-11-methyl-2,3-dihydrobenzo[b][1]benzazepine-5,6-dione is Cn1c2c(c(=O)c(=O)c3ccccc31)=CC(C(=O)C(C)(C)O)CC=2.
What is the InChIKey of 3-(2-hydroxy-2-methylpropanoyl)-11-methyl-2,3-dihydrobenzo[b][1]benzazepine-5,6-dione?
The InChIKey is IAKISAXQXCJRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-19(2,24)18(23)11-8-9-15-13(10-11)17(22)16(21)12-6-4-5-7-14(12)20(15)3/h4-7,9-11,24H,8H2,1-3H3.
What are the key properties of 3-(2-hydroxy-2-methylpropanoyl)-11-methyl-2,3-dihydrobenzo[b][1]benzazepine-5,6-dione?
3-(2-hydroxy-2-methylpropanoyl)-11-methyl-2,3-dihydrobenzo[b][1]benzazepine-5,6-dione has a molecular weight of 325.36 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-methylpropanoyl)-11-methyl-2,3-dihydrobenzo[b][1]benzazepine-5,6-dione is sourced from PubChem (CID 70478233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).