(2S)-2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)propanamide

C22H24N4O3 — CID 95081159

IUPAC(2S)-2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)propanamide
SMILESCC(=O)N(C)c1nc2ccccc2n([C@@H](C)C(=O)Nc2cc(C)ccc2C)c1=O
InChIInChI=1S/C22H24N4O3/c1-13-10-11-14(2)18(12-13)24-21(28)15(3)26-19-9-7-6-8-17(19)23-20(22(26)29)25(5)16(4)27/h6-12,15H,1-5H3,(H,24,28)/t15-/m0/s1
InChIKeyAMOLZIJFVCYZGB-HNNXBMFYSA-N
MW392.46 g/mol
LogP3.20
Rot. Bonds4

About (2S)-2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)propanamide

(2S)-2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)propanamide (PubChem CID 95081159) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2S)-2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)propanamide
PubChem CID95081159
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(2S)-2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)propanamide
SMILESCC(=O)N(C)c1nc2ccccc2n([C@@H](C)C(=O)Nc2cc(C)ccc2C)c1=O
InChIInChI=1S/C22H24N4O3/c1-13-10-11-14(2)18(12-13)24-21(28)15(3)26-19-9-7-6-8-17(19)23-20(22(26)29)25(5)16(4)27/h6-12,15H,1-5H3,(H,24,28)/t15-/m0/s1
InChIKeyAMOLZIJFVCYZGB-HNNXBMFYSA-N
XLogP3.20
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-methylphenyl)propanamide
CID 50747281
(2R)-2-(2-methylbenzimidazol-1-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide
CID 51584725
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 50747295
2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 53045857
(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)propanamide
CID 92736195
(2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide
CID 92901982
2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)propanamide
CID 110430017
2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide
CID 53097740
(2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide
CID 92901934
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of (2S)-2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)propanamide (CID 95081159) is (2S)-2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)propanamide is CC(=O)N(C)c1nc2ccccc2n([C@@H](C)C(=O)Nc2cc(C)ccc2C)c1=O.
What is the InChIKey of (2S)-2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is AMOLZIJFVCYZGB-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13-10-11-14(2)18(12-13)24-21(28)15(3)26-19-9-7-6-8-17(19)23-20(22(26)29)25(5)16(4)27/h6-12,15H,1-5H3,(H,24,28)/t15-/m0/s1.
What are the key properties of (2S)-2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)propanamide?
(2S)-2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 392.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 95081159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).