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

C20H20N2O3 — CID 110713626

IUPAC1-cyclopropyl-4-[2-(2-methoxyphenyl)acetyl]-3H-quinoxalin-2-one
SMILESCOc1ccccc1CC(=O)N1CC(=O)N(C2CC2)c2ccccc21
InChIInChI=1S/C20H20N2O3/c1-25-18-9-5-2-6-14(18)12-19(23)21-13-20(24)22(15-10-11-15)17-8-4-3-7-16(17)21/h2-9,15H,10-13H2,1H3
InChIKeyFHTMISSSOXXBAH-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.78
Rot. Bonds4

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

1-cyclopropyl-4-[2-(2-methoxyphenyl)acetyl]-3H-quinoxalin-2-one (PubChem CID 110713626) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-cyclopropyl-4-[2-(2-methoxyphenyl)acetyl]-3H-quinoxalin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[2-(2-methoxyphenyl)acetyl]-3H-quinoxalin-2-one
PubChem CID110713626
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-cyclopropyl-4-[2-(2-methoxyphenyl)acetyl]-3H-quinoxalin-2-one
SMILESCOc1ccccc1CC(=O)N1CC(=O)N(C2CC2)c2ccccc21
InChIInChI=1S/C20H20N2O3/c1-25-18-9-5-2-6-14(18)12-19(23)21-13-20(24)22(15-10-11-15)17-8-4-3-7-16(17)21/h2-9,15H,10-13H2,1H3
InChIKeyFHTMISSSOXXBAH-UHFFFAOYSA-N
XLogP2.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2-(2-methoxyphenyl)acetyl]azetidin-3-yl]imidazolidine-2,4-dione
CID 121159517
1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)-3H-quinoxalin-2-one
CID 110713610
1-(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methoxyphenyl)ethanone
CID 138989022
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 112533207
1-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 110709639
2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 115997761
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-(2-methoxyphenyl)acetamide
CID 110719761
1-[(1S,5R)-3-acetyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-(2-methoxyphenyl)ethanone
CID 72920744
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
1-[2-(2-methoxyphenyl)acetyl]-2,5-dihydropyrrole-3-carboxylic acid
CID 92601428
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[2-(2-methoxyphenyl)acetyl]-3H-quinoxalin-2-one?
The IUPAC name of 1-cyclopropyl-4-[2-(2-methoxyphenyl)acetyl]-3H-quinoxalin-2-one (CID 110713626) is 1-cyclopropyl-4-[2-(2-methoxyphenyl)acetyl]-3H-quinoxalin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[2-(2-methoxyphenyl)acetyl]-3H-quinoxalin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[2-(2-methoxyphenyl)acetyl]-3H-quinoxalin-2-one is COc1ccccc1CC(=O)N1CC(=O)N(C2CC2)c2ccccc21.
What is the InChIKey of 1-cyclopropyl-4-[2-(2-methoxyphenyl)acetyl]-3H-quinoxalin-2-one?
The InChIKey is FHTMISSSOXXBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-25-18-9-5-2-6-14(18)12-19(23)21-13-20(24)22(15-10-11-15)17-8-4-3-7-16(17)21/h2-9,15H,10-13H2,1H3.
What are the key properties of 1-cyclopropyl-4-[2-(2-methoxyphenyl)acetyl]-3H-quinoxalin-2-one?
1-cyclopropyl-4-[2-(2-methoxyphenyl)acetyl]-3H-quinoxalin-2-one has a molecular weight of 336.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[2-(2-methoxyphenyl)acetyl]-3H-quinoxalin-2-one is sourced from PubChem (CID 110713626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).