2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(4-methylphenyl)acetamide

C19H21N3O2 — CID 718022

IUPAC2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2Nc3cc(C)c(C)cc3NC2=O)cc1
InChIInChI=1S/C19H21N3O2/c1-11-4-6-14(7-5-11)20-18(23)10-17-19(24)22-16-9-13(3)12(2)8-15(16)21-17/h4-9,17,21H,10H2,1-3H3,(H,20,23)(H,22,24)/t17-/m0/s1
InChIKeyJMAIOEHXYCRRGK-KRWDZBQOSA-N
MW323.40 g/mol
LogP3.37
Rot. Bonds3

About 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(4-methylphenyl)acetamide

2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 718022) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID718022
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2Nc3cc(C)c(C)cc3NC2=O)cc1
InChIInChI=1S/C19H21N3O2/c1-11-4-6-14(7-5-11)20-18(23)10-17-19(24)22-16-9-13(3)12(2)8-15(16)21-17/h4-9,17,21H,10H2,1-3H3,(H,20,23)(H,22,24)/t17-/m0/s1
InChIKeyJMAIOEHXYCRRGK-KRWDZBQOSA-N
XLogP3.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
CID 2946822
2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(3,5-dimethylphenyl)acetamide
CID 7195425
methyl 4-[[2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]benzoate
CID 2910994
methyl 4-[[2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]benzoate
CID 1073078
2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2937951
2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(3-methylphenyl)acetamide
CID 3149572
N-(3,4-dichlorophenyl)-2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 2242008
N-(3,4-dichlorophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
CID 2976181
N-(3,5-dichlorophenyl)-2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 1093116
2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide
CID 2897145
2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 2897802
2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide
CID 776317

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(4-methylphenyl)acetamide (CID 718022) is 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)C[C@@H]2Nc3cc(C)c(C)cc3NC2=O)cc1.
What is the InChIKey of 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is JMAIOEHXYCRRGK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-11-4-6-14(7-5-11)20-18(23)10-17-19(24)22-16-9-13(3)12(2)8-15(16)21-17/h4-9,17,21H,10H2,1-3H3,(H,20,23)(H,22,24)/t17-/m0/s1.
What are the key properties of 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(4-methylphenyl)acetamide?
2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 718022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).