(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide

C28H28N4O4 — CID 92901957

IUPAC(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide
SMILESCC[C@@H](C(=O)Nc1cccc(OC)c1)n1c(=O)c(-c2cc(C)ccc2NC(C)=O)nc2ccccc21
InChIInChI=1S/C28H28N4O4/c1-5-24(27(34)30-19-9-8-10-20(16-19)36-4)32-25-12-7-6-11-23(25)31-26(28(32)35)21-15-17(2)13-14-22(21)29-18(3)33/h6-16,24H,5H2,1-4H3,(H,29,33)(H,30,34)/t24-/m0/s1
InChIKeyKPBYDJBIYHFSEC-DEOSSOPVSA-N
MW484.56 g/mol
LogP4.93
Rot. Bonds7

About (2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide

(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide (PubChem CID 92901957) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is (2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide
PubChem CID92901957
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide
SMILESCC[C@@H](C(=O)Nc1cccc(OC)c1)n1c(=O)c(-c2cc(C)ccc2NC(C)=O)nc2ccccc21
InChIInChI=1S/C28H28N4O4/c1-5-24(27(34)30-19-9-8-10-20(16-19)36-4)32-25-12-7-6-11-23(25)31-26(28(32)35)21-15-17(2)13-14-22(21)29-18(3)33/h6-16,24H,5H2,1-4H3,(H,29,33)(H,30,34)/t24-/m0/s1
InChIKeyKPBYDJBIYHFSEC-DEOSSOPVSA-N
XLogP4.93
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide
CID 92736202
(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,5-difluorophenyl)butanamide
CID 92736205
2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide
CID 53097740
N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide
CID 46266247
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-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 50746440
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 50747268
N-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
CID 6624879
(2S)-2-[3-[5-ethyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]-N-phenylpropanamide
CID 92901989
N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
CID 20890739
N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
CID 46266404

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide?
The IUPAC name of (2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide (CID 92901957) is (2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide.
What is the SMILES notation for (2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide?
The canonical SMILES for (2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide is CC[C@@H](C(=O)Nc1cccc(OC)c1)n1c(=O)c(-c2cc(C)ccc2NC(C)=O)nc2ccccc21.
What is the InChIKey of (2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide?
The InChIKey is KPBYDJBIYHFSEC-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-5-24(27(34)30-19-9-8-10-20(16-19)36-4)32-25-12-7-6-11-23(25)31-26(28(32)35)21-15-17(2)13-14-22(21)29-18(3)33/h6-16,24H,5H2,1-4H3,(H,29,33)(H,30,34)/t24-/m0/s1.
What are the key properties of (2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide?
(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide has a molecular weight of 484.56 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide is sourced from PubChem (CID 92901957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).