N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide

C30H32N4O3 — CID 46266404

IUPACN-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)Nc2c(CC)cccc2CC)c1=O
InChIInChI=1S/C30H32N4O3/c1-5-20-11-10-12-21(6-2)28(20)33-27(36)18-34-25-14-9-8-13-24(25)32-29(30(34)37)22-17-19(4)15-16-23(22)31-26(35)7-3/h8-17H,5-7,18H2,1-4H3,(H,31,35)(H,33,36)
InChIKeyZTQUPBWQBKRFIE-UHFFFAOYSA-N
MW496.61 g/mol
LogP5.48
Rot. Bonds8

About N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide

N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide (PubChem CID 46266404) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
PubChem CID46266404
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC NameN-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)Nc2c(CC)cccc2CC)c1=O
InChIInChI=1S/C30H32N4O3/c1-5-20-11-10-12-21(6-2)28(20)33-27(36)18-34-25-14-9-8-13-24(25)32-29(30(34)37)22-17-19(4)15-16-23(22)31-26(35)7-3/h8-17H,5-7,18H2,1-4H3,(H,31,35)(H,33,36)
InChIKeyZTQUPBWQBKRFIE-UHFFFAOYSA-N
XLogP5.48
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide 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-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
CID 20895410
N-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
CID 46367566
N-[2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide
CID 46266252
N-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide
CID 20894967
N-(4-methylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]butanamide
CID 50747374
(2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide
CID 92901982
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 20894952
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide
CID 46367536
(2S)-2-[3-[5-ethyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]-N-phenylpropanamide
CID 92901989
(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
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide?
The IUPAC name of N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide (CID 46266404) is N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide?
The canonical SMILES for N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)Nc2c(CC)cccc2CC)c1=O.
What is the InChIKey of N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide?
The InChIKey is ZTQUPBWQBKRFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-5-20-11-10-12-21(6-2)28(20)33-27(36)18-34-25-14-9-8-13-24(25)32-29(30(34)37)22-17-19(4)15-16-23(22)31-26(35)7-3/h8-17H,5-7,18H2,1-4H3,(H,31,35)(H,33,36).
What are the key properties of N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide?
N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide has a molecular weight of 496.61 g/mol, XLogP of 5.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide is sourced from PubChem (CID 46266404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).