3-[(2-methoxyphenyl)methyl]-1-phenacylquinoxalin-2-one

C24H20N2O3 — CID 23961183

IUPAC3-[(2-methoxyphenyl)methyl]-1-phenacylquinoxalin-2-one
SMILESCOc1ccccc1Cc1nc2ccccc2n(CC(=O)c2ccccc2)c1=O
InChIInChI=1S/C24H20N2O3/c1-29-23-14-8-5-11-18(23)15-20-24(28)26(21-13-7-6-12-19(21)25-20)16-22(27)17-9-3-2-4-10-17/h2-14H,15-16H2,1H3
InChIKeyIARIDKVWXKFEOV-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.88
Rot. Bonds6

About 3-[(2-methoxyphenyl)methyl]-1-phenacylquinoxalin-2-one

3-[(2-methoxyphenyl)methyl]-1-phenacylquinoxalin-2-one (PubChem CID 23961183) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-1-phenacylquinoxalin-2-one.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-1-phenacylquinoxalin-2-one
PubChem CID23961183
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name3-[(2-methoxyphenyl)methyl]-1-phenacylquinoxalin-2-one
SMILESCOc1ccccc1Cc1nc2ccccc2n(CC(=O)c2ccccc2)c1=O
InChIInChI=1S/C24H20N2O3/c1-29-23-14-8-5-11-18(23)15-20-24(28)26(21-13-7-6-12-19(21)25-20)16-22(27)17-9-3-2-4-10-17/h2-14H,15-16H2,1H3
InChIKeyIARIDKVWXKFEOV-UHFFFAOYSA-N
XLogP3.88
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one
CID 95921163
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone
CID 16999755
2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-phenylethanone
CID 16997818
2-[3-[(4-chlorophenyl)methyl]-2-oxoquinoxalin-1-yl]acetic acid
CID 72724187
3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide
CID 17008517
1-(4-chlorophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]ethanone
CID 16997569
(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 755584
1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 940002
1-phenacylbenzimidazole-2-sulfonic acid
CID 142758042
N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768132
1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 21179267
1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one
CID 162660811

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-1-phenacylquinoxalin-2-one?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-1-phenacylquinoxalin-2-one (CID 23961183) is 3-[(2-methoxyphenyl)methyl]-1-phenacylquinoxalin-2-one.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-1-phenacylquinoxalin-2-one?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-1-phenacylquinoxalin-2-one is COc1ccccc1Cc1nc2ccccc2n(CC(=O)c2ccccc2)c1=O.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-1-phenacylquinoxalin-2-one?
The InChIKey is IARIDKVWXKFEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-29-23-14-8-5-11-18(23)15-20-24(28)26(21-13-7-6-12-19(21)25-20)16-22(27)17-9-3-2-4-10-17/h2-14H,15-16H2,1H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-1-phenacylquinoxalin-2-one?
3-[(2-methoxyphenyl)methyl]-1-phenacylquinoxalin-2-one has a molecular weight of 384.44 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-1-phenacylquinoxalin-2-one is sourced from PubChem (CID 23961183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).