N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide

C29H30N4O3 — CID 46266247

IUPACN-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide
SMILESCCC(=O)Nc1ccccc1-c1nc2ccccc2n(C(CC)C(=O)Nc2cccc(CC)c2)c1=O
InChIInChI=1S/C29H30N4O3/c1-4-19-12-11-13-20(18-19)30-28(35)24(5-2)33-25-17-10-9-16-23(25)32-27(29(33)36)21-14-7-8-15-22(21)31-26(34)6-3/h7-18,24H,4-6H2,1-3H3,(H,30,35)(H,31,34)
InChIKeyWELIRNCDEFXORQ-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.56
Rot. Bonds8

About N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide

N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide (PubChem CID 46266247) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide
PubChem CID46266247
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC NameN-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide
SMILESCCC(=O)Nc1ccccc1-c1nc2ccccc2n(C(CC)C(=O)Nc2cccc(CC)c2)c1=O
InChIInChI=1S/C29H30N4O3/c1-4-19-12-11-13-20(18-19)30-28(35)24(5-2)33-25-17-10-9-16-23(25)32-27(29(33)36)21-14-7-8-15-22(21)31-26(34)6-3/h7-18,24H,4-6H2,1-3H3,(H,30,35)(H,31,34)
InChIKeyWELIRNCDEFXORQ-UHFFFAOYSA-N
XLogP5.56
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide 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

N-(4-methylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]butanamide
CID 50747374
(2S)-2-[3-[5-ethyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]-N-phenylpropanamide
CID 92901989
(2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide
CID 92901934
(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide
CID 92901957
N-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide
CID 20894967
(2R)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide
CID 92736202
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide
CID 50747318
(2R)-N-(3-ethylphenyl)-2-[[5-oxo-6-[2-(propanoylamino)phenyl]-4H-1,2,4-triazin-3-yl]sulfanyl]butanamide
CID 136919278
(2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide
CID 92901982
N-[2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide
CID 46266252
2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide
CID 53097740
(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,5-difluorophenyl)butanamide
CID 92736205

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide?
The IUPAC name of N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide (CID 46266247) is N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide is CCC(=O)Nc1ccccc1-c1nc2ccccc2n(C(CC)C(=O)Nc2cccc(CC)c2)c1=O.
What is the InChIKey of N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide?
The InChIKey is WELIRNCDEFXORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-4-19-12-11-13-20(18-19)30-28(35)24(5-2)33-25-17-10-9-16-23(25)32-27(29(33)36)21-14-7-8-15-22(21)31-26(34)6-3/h7-18,24H,4-6H2,1-3H3,(H,30,35)(H,31,34).
What are the key properties of N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide?
N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide has a molecular weight of 482.58 g/mol, XLogP of 5.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide is sourced from PubChem (CID 46266247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).