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

C28H28N4O3 — CID 20895410

IUPACN-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)Nc2cccc(C)c2C)c1=O
InChIInChI=1S/C28H28N4O3/c1-5-25(33)30-22-14-13-17(2)15-20(22)27-28(35)32(24-12-7-6-10-23(24)31-27)16-26(34)29-21-11-8-9-18(3)19(21)4/h6-15H,5,16H2,1-4H3,(H,29,34)(H,30,33)
InChIKeyBADDVWKXMGHREX-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.98
Rot. Bonds6

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

N-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide (PubChem CID 20895410) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
PubChem CID20895410
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC NameN-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)Nc2cccc(C)c2C)c1=O
InChIInChI=1S/C28H28N4O3/c1-5-25(33)30-22-14-13-17(2)15-20(22)27-28(35)32(24-12-7-6-10-23(24)31-27)16-26(34)29-21-11-8-9-18(3)19(21)4/h6-15H,5,16H2,1-4H3,(H,29,34)(H,30,33)
InChIKeyBADDVWKXMGHREX-UHFFFAOYSA-N
XLogP4.98
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
CID 46367566
N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
CID 46266404
(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
N-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide
CID 20894967
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 20894952
N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 17030096
N-(4-methylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]butanamide
CID 50747374
N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17029754
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide
CID 46367536
(2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide
CID 92901934
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide?
The IUPAC name of N-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide (CID 20895410) is N-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide?
The canonical SMILES for N-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)Nc2cccc(C)c2C)c1=O.
What is the InChIKey of N-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide?
The InChIKey is BADDVWKXMGHREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-5-25(33)30-22-14-13-17(2)15-20(22)27-28(35)32(24-12-7-6-10-23(24)31-27)16-26(34)29-21-11-8-9-18(3)19(21)4/h6-15H,5,16H2,1-4H3,(H,29,34)(H,30,33).
What are the key properties of N-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide?
N-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide has a molecular weight of 468.56 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide is sourced from PubChem (CID 20895410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).