(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)propanamide

C27H25ClN4O3 — CID 92736195

IUPAC(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)propanamide
SMILESCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2cccc(Cl)c2C)c1=O
InChIInChI=1S/C27H25ClN4O3/c1-15-12-13-22(29-18(4)33)19(14-15)25-27(35)32(24-11-6-5-9-23(24)30-25)17(3)26(34)31-21-10-7-8-20(28)16(21)2/h5-14,17H,1-4H3,(H,29,33)(H,31,34)/t17-/m0/s1
InChIKeySMBFOZNTEZGCHO-KRWDZBQOSA-N
MW488.98 g/mol
LogP5.49
Rot. Bonds5

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

(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)propanamide (PubChem CID 92736195) has the molecular formula C27H25ClN4O3 and a molecular weight of 488.98 g/mol. Its IUPAC name is (2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)propanamide
PubChem CID92736195
Molecular FormulaC27H25ClN4O3
Molecular Weight488.98 g/mol
Exact Mass488.16
IUPAC Name(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)propanamide
SMILESCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2cccc(Cl)c2C)c1=O
InChIInChI=1S/C27H25ClN4O3/c1-15-12-13-22(29-18(4)33)19(14-15)25-27(35)32(24-11-6-5-9-23(24)30-25)17(3)26(34)31-21-10-7-8-20(28)16(21)2/h5-14,17H,1-4H3,(H,29,33)(H,31,34)/t17-/m0/s1
InChIKeySMBFOZNTEZGCHO-KRWDZBQOSA-N
XLogP5.49
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.98
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(5-chloro-2-methylphenyl)propanamide
CID 50747268
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 50747295
(2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide
CID 92901982
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide
CID 50747318
(2R)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide
CID 92736202
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
(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide
CID 92901957
(2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide
CID 92901934
(2S)-2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 95081159
N-(4-methylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]butanamide
CID 50747374

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)propanamide?
The IUPAC name of (2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)propanamide (CID 92736195) is (2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)propanamide is CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2cccc(Cl)c2C)c1=O.
What is the InChIKey of (2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)propanamide?
The InChIKey is SMBFOZNTEZGCHO-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H25ClN4O3/c1-15-12-13-22(29-18(4)33)19(14-15)25-27(35)32(24-11-6-5-9-23(24)30-25)17(3)26(34)31-21-10-7-8-20(28)16(21)2/h5-14,17H,1-4H3,(H,29,33)(H,31,34)/t17-/m0/s1.
What are the key properties of (2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)propanamide?
(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)propanamide has a molecular weight of 488.98 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 92736195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).