2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide

C22H24N4O4 — CID 53097740

IUPAC2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide
SMILESCCC(C(=O)Nc1cccc(OC)c1)n1c(=O)c(N(C)C(C)=O)nc2ccccc21
InChIInChI=1S/C22H24N4O4/c1-5-18(21(28)23-15-9-8-10-16(13-15)30-4)26-19-12-7-6-11-17(19)24-20(22(26)29)25(3)14(2)27/h6-13,18H,5H2,1-4H3,(H,23,28)
InChIKeyMLPVOZXMYJKXCB-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.98
Rot. Bonds6

About 2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide

2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide (PubChem CID 53097740) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide.

Molecular Properties

Compound Name2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide
PubChem CID53097740
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide
SMILESCCC(C(=O)Nc1cccc(OC)c1)n1c(=O)c(N(C)C(C)=O)nc2ccccc21
InChIInChI=1S/C22H24N4O4/c1-5-18(21(28)23-15-9-8-10-16(13-15)30-4)26-19-12-7-6-11-17(19)24-20(22(26)29)25(3)14(2)27/h6-13,18H,5H2,1-4H3,(H,23,28)
InChIKeyMLPVOZXMYJKXCB-UHFFFAOYSA-N
XLogP2.98
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide
CID 92901957
N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
CID 20890739
methyl 2-(2-aminobenzimidazol-1-yl)butanoate
CID 82358918
(2S)-2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)butanamide
CID 95081170
N-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
CID 6624879
N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide
CID 46266247
1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea
CID 35279970
(2S)-2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 95081159
N-(4-methoxyphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)butanamide
CID 46301055
3-(diethylamino)-N-(3-methoxyphenyl)quinoxaline-2-carboxamide
CID 46365121
2-bromo-N-(3-methoxyphenyl)butanamide
CID 50742538
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473

Frequently Asked Questions

What is the IUPAC name of 2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide?
The IUPAC name of 2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide (CID 53097740) is 2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide.
What is the SMILES notation for 2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide?
The canonical SMILES for 2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide is CCC(C(=O)Nc1cccc(OC)c1)n1c(=O)c(N(C)C(C)=O)nc2ccccc21.
What is the InChIKey of 2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide?
The InChIKey is MLPVOZXMYJKXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-5-18(21(28)23-15-9-8-10-16(13-15)30-4)26-19-12-7-6-11-17(19)24-20(22(26)29)25(3)14(2)27/h6-13,18H,5H2,1-4H3,(H,23,28).
What are the key properties of 2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide?
2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide has a molecular weight of 408.46 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide is sourced from PubChem (CID 53097740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).