4-[2-(4-methoxyphenyl)acetyl]-1-propan-2-yl-3H-quinoxalin-2-one

C20H22N2O3 — CID 110713507

IUPAC4-[2-(4-methoxyphenyl)acetyl]-1-propan-2-yl-3H-quinoxalin-2-one
SMILESCOc1ccc(CC(=O)N2CC(=O)N(C(C)C)c3ccccc32)cc1
InChIInChI=1S/C20H22N2O3/c1-14(2)22-18-7-5-4-6-17(18)21(13-20(22)24)19(23)12-15-8-10-16(25-3)11-9-15/h4-11,14H,12-13H2,1-3H3
InChIKeyFVYKPBFVEUWWLI-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.03
Rot. Bonds4

About 4-[2-(4-methoxyphenyl)acetyl]-1-propan-2-yl-3H-quinoxalin-2-one

4-[2-(4-methoxyphenyl)acetyl]-1-propan-2-yl-3H-quinoxalin-2-one (PubChem CID 110713507) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)acetyl]-1-propan-2-yl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)acetyl]-1-propan-2-yl-3H-quinoxalin-2-one
PubChem CID110713507
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-[2-(4-methoxyphenyl)acetyl]-1-propan-2-yl-3H-quinoxalin-2-one
SMILESCOc1ccc(CC(=O)N2CC(=O)N(C(C)C)c3ccccc32)cc1
InChIInChI=1S/C20H22N2O3/c1-14(2)22-18-7-5-4-6-17(18)21(13-20(22)24)19(23)12-15-8-10-16(25-3)11-9-15/h4-11,14H,12-13H2,1-3H3
InChIKeyFVYKPBFVEUWWLI-UHFFFAOYSA-N
XLogP3.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(4-methoxyphenyl)acetyl]-1-propan-2-yl-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-butanoyl-1-propan-2-yl-3H-quinoxalin-2-one
CID 110713479
1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one
CID 110424740
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methoxyphenyl)ethanone
CID 744395
2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 110361453
1-(5,5-dioxophenothiazin-10-yl)-2-(4-methoxyphenyl)ethanone
CID 66507362
2-(4-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 8910906
4-[2-(4-methoxyphenyl)acetyl]-1-phenyl-1,4-diazepan-2-one
CID 110867159
2-[1-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108544576
1-cyclopropyl-4-[2-(2-methoxyphenyl)acetyl]-3H-quinoxalin-2-one
CID 110713626
1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone
CID 99185253
1-tert-butyl-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-one
CID 110867147

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)acetyl]-1-propan-2-yl-3H-quinoxalin-2-one?
The IUPAC name of 4-[2-(4-methoxyphenyl)acetyl]-1-propan-2-yl-3H-quinoxalin-2-one (CID 110713507) is 4-[2-(4-methoxyphenyl)acetyl]-1-propan-2-yl-3H-quinoxalin-2-one.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)acetyl]-1-propan-2-yl-3H-quinoxalin-2-one?
The canonical SMILES for 4-[2-(4-methoxyphenyl)acetyl]-1-propan-2-yl-3H-quinoxalin-2-one is COc1ccc(CC(=O)N2CC(=O)N(C(C)C)c3ccccc32)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)acetyl]-1-propan-2-yl-3H-quinoxalin-2-one?
The InChIKey is FVYKPBFVEUWWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(2)22-18-7-5-4-6-17(18)21(13-20(22)24)19(23)12-15-8-10-16(25-3)11-9-15/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 4-[2-(4-methoxyphenyl)acetyl]-1-propan-2-yl-3H-quinoxalin-2-one?
4-[2-(4-methoxyphenyl)acetyl]-1-propan-2-yl-3H-quinoxalin-2-one has a molecular weight of 338.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)acetyl]-1-propan-2-yl-3H-quinoxalin-2-one is sourced from PubChem (CID 110713507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).