(2S)-2-[3-[5-ethyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]-N-phenylpropanamide

C28H28N4O3 — CID 92901989

IUPAC(2S)-2-[3-[5-ethyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]-N-phenylpropanamide
SMILESCCC(=O)Nc1ccc(CC)cc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2ccccc2)c1=O
InChIInChI=1S/C28H28N4O3/c1-4-19-15-16-22(30-25(33)5-2)21(17-19)26-28(35)32(24-14-10-9-13-23(24)31-26)18(3)27(34)29-20-11-7-6-8-12-20/h6-18H,4-5H2,1-3H3,(H,29,34)(H,30,33)/t18-/m0/s1
InChIKeyYBQJSTBKEKQPQP-SFHVURJKSA-N
MW468.56 g/mol
LogP5.17
Rot. Bonds7

About (2S)-2-[3-[5-ethyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]-N-phenylpropanamide

(2S)-2-[3-[5-ethyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]-N-phenylpropanamide (PubChem CID 92901989) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is (2S)-2-[3-[5-ethyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[3-[5-ethyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]-N-phenylpropanamide
PubChem CID92901989
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name(2S)-2-[3-[5-ethyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]-N-phenylpropanamide
SMILESCCC(=O)Nc1ccc(CC)cc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2ccccc2)c1=O
InChIInChI=1S/C28H28N4O3/c1-4-19-15-16-22(30-25(33)5-2)21(17-19)26-28(35)32(24-14-10-9-13-23(24)31-26)18(3)27(34)29-20-11-7-6-8-12-20/h6-18H,4-5H2,1-3H3,(H,29,34)(H,30,33)/t18-/m0/s1
InChIKeyYBQJSTBKEKQPQP-SFHVURJKSA-N
XLogP5.17
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide
CID 46266247
(2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide
CID 92901934
(2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide
CID 92901982
N-(4-methylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]butanamide
CID 50747374
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-acetylphenyl)propanamide
CID 20894940
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 50746440
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide
CID 50747281
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 50747295
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 50747268
(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)propanamide
CID 92736195
N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
CID 46266404
N-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
CID 46367566

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[5-ethyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]-N-phenylpropanamide?
The IUPAC name of (2S)-2-[3-[5-ethyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]-N-phenylpropanamide (CID 92901989) is (2S)-2-[3-[5-ethyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[3-[5-ethyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[3-[5-ethyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]-N-phenylpropanamide is CCC(=O)Nc1ccc(CC)cc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2ccccc2)c1=O.
What is the InChIKey of (2S)-2-[3-[5-ethyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]-N-phenylpropanamide?
The InChIKey is YBQJSTBKEKQPQP-SFHVURJKSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-4-19-15-16-22(30-25(33)5-2)21(17-19)26-28(35)32(24-14-10-9-13-23(24)31-26)18(3)27(34)29-20-11-7-6-8-12-20/h6-18H,4-5H2,1-3H3,(H,29,34)(H,30,33)/t18-/m0/s1.
What are the key properties of (2S)-2-[3-[5-ethyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]-N-phenylpropanamide?
(2S)-2-[3-[5-ethyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]-N-phenylpropanamide has a molecular weight of 468.56 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[5-ethyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 92901989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).