N-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide

C22H24N4O3 — CID 53097774

IUPACN-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2c(C)cccc2C)c1=O
InChIInChI=1S/C22H24N4O3/c1-5-19(28)25(4)21-22(29)26(17-12-7-6-11-16(17)23-21)13-18(27)24-20-14(2)9-8-10-15(20)3/h6-12H,5,13H2,1-4H3,(H,24,27)
InChIKeyVOYKJPNFTDKPDR-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.02
Rot. Bonds5

About N-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide

N-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide (PubChem CID 53097774) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
PubChem CID53097774
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2c(C)cccc2C)c1=O
InChIInChI=1S/C22H24N4O3/c1-5-19(28)25(4)21-22(29)26(17-12-7-6-11-16(17)23-21)13-18(27)24-20-14(2)9-8-10-15(20)3/h6-12H,5,13H2,1-4H3,(H,24,27)
InChIKeyVOYKJPNFTDKPDR-UHFFFAOYSA-N
XLogP3.02
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(2,6-difluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097742
N-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 53097764
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097778
N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097759
N-[4-[2-(2-bromoanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097745
N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097761
N-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
CID 46284677
2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(4-ethylphenyl)acetamide
CID 53097720
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17033143
N-[2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 17030392
N-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 39967043
N-(2-ethyl-6-methylphenyl)-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide
CID 1327709

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide?
The IUPAC name of N-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide (CID 53097774) is N-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide is CCC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2c(C)cccc2C)c1=O.
What is the InChIKey of N-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide?
The InChIKey is VOYKJPNFTDKPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-5-19(28)25(4)21-22(29)26(17-12-7-6-11-16(17)23-21)13-18(27)24-20-14(2)9-8-10-15(20)3/h6-12H,5,13H2,1-4H3,(H,24,27).
What are the key properties of N-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide?
N-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide has a molecular weight of 392.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide is sourced from PubChem (CID 53097774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).