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

C20H23N3O2 — CID 699845

IUPAC2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILESCc1cc2c(cc1C)N[C@@H](CC(=O)N[C@@H](C)c1ccccc1)C(=O)N2
InChIInChI=1S/C20H23N3O2/c1-12-9-16-17(10-13(12)2)23-20(25)18(22-16)11-19(24)21-14(3)15-7-5-4-6-8-15/h4-10,14,18,22H,11H2,1-3H3,(H,21,24)(H,23,25)/t14-,18-/m0/s1
InChIKeyNCMQFFDHWWOMAN-KSSFIOAISA-N
MW337.42 g/mol
LogP3.30
Rot. Bonds4

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

2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 699845) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID699845
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILESCc1cc2c(cc1C)N[C@@H](CC(=O)N[C@@H](C)c1ccccc1)C(=O)N2
InChIInChI=1S/C20H23N3O2/c1-12-9-16-17(10-13(12)2)23-20(25)18(22-16)11-19(24)21-14(3)15-7-5-4-6-8-15/h4-10,14,18,22H,11H2,1-3H3,(H,21,24)(H,23,25)/t14-,18-/m0/s1
InChIKeyNCMQFFDHWWOMAN-KSSFIOAISA-N
XLogP3.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(1-phenylethyl)acetamide
CID 118985656
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-phenylethyl)acetamide
CID 75465794
2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide
CID 2897145
2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide
CID 776316
2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide
CID 776317
2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 718022
N-(4-acetamidophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
CID 2946822
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-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 94823440
N-(3,4-dichlorophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
CID 2976181
2-(2-methylpropyl)-3-oxo-N-(1-phenylethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 22427152

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[(1S)-1-phenylethyl]acetamide (CID 699845) is 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[(1S)-1-phenylethyl]acetamide is Cc1cc2c(cc1C)N[C@@H](CC(=O)N[C@@H](C)c1ccccc1)C(=O)N2.
What is the InChIKey of 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is NCMQFFDHWWOMAN-KSSFIOAISA-N. The full InChI is InChI=1S/C20H23N3O2/c1-12-9-16-17(10-13(12)2)23-20(25)18(22-16)11-19(24)21-14(3)15-7-5-4-6-8-15/h4-10,14,18,22H,11H2,1-3H3,(H,21,24)(H,23,25)/t14-,18-/m0/s1.
What are the key properties of 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[(1S)-1-phenylethyl]acetamide?
2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 3.30, 4 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-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 699845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).