4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one

C17H16N2O3 — CID 110669554

IUPAC4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one
SMILESCOc1ccc(C(=O)N2CC(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C17H16N2O3/c1-18-14-5-3-4-6-15(14)19(11-16(18)20)17(21)12-7-9-13(22-2)10-8-12/h3-10H,11H2,1-2H3
InChIKeyZPYFOBUGNJQFJL-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.32
Rot. Bonds2

About 4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one

4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one (PubChem CID 110669554) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one
PubChem CID110669554
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one
SMILESCOc1ccc(C(=O)N2CC(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C17H16N2O3/c1-18-14-5-3-4-6-15(14)19(11-16(18)20)17(21)12-7-9-13(22-2)10-8-12/h3-10H,11H2,1-2H3
InChIKeyZPYFOBUGNJQFJL-UHFFFAOYSA-N
XLogP2.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-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

4-benzoyl-1-methyl-3H-quinoxalin-2-one
CID 110669540
4-(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-1-methyl-3H-quinoxalin-2-one
CID 75453060
(4-methoxyphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone
CID 157214095
1-(4-methoxybenzoyl)pyrrolidin-2-one
CID 67930161
(4-methoxyphenyl)-(11-phenyl-6,11-dihydrobenzo[c][1]benzazepin-5-yl)methanone
CID 10431398
1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one
CID 3537198
(3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 124609676
(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 110709476
N-tert-butyl-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide
CID 110669697
3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(4-methoxyphenyl)methanone
CID 17497583
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(4-methoxyphenyl)-phenothiazin-10-ylmethanone
CID 1237217

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one?
The IUPAC name of 4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one (CID 110669554) is 4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one.
What is the SMILES notation for 4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one?
The canonical SMILES for 4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one is COc1ccc(C(=O)N2CC(=O)N(C)c3ccccc32)cc1.
What is the InChIKey of 4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one?
The InChIKey is ZPYFOBUGNJQFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-18-14-5-3-4-6-15(14)19(11-16(18)20)17(21)12-7-9-13(22-2)10-8-12/h3-10H,11H2,1-2H3.
What are the key properties of 4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one?
4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one has a molecular weight of 296.33 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one is sourced from PubChem (CID 110669554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).