4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide

C18H17N3O2 — CID 92877606

IUPAC4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide
SMILESC[C@@H](NC(=O)c1nc2ccccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-12(13-8-4-3-5-9-13)19-17(22)16-18(23)21(2)15-11-7-6-10-14(15)20-16/h3-12H,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeyQSAHIGJLDXVJEB-GFCCVEGCSA-N
MW307.35 g/mol
LogP2.42
Rot. Bonds3

About 4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide

4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide (PubChem CID 92877606) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide
PubChem CID92877606
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide
SMILESC[C@@H](NC(=O)c1nc2ccccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-12(13-8-4-3-5-9-13)19-17(22)16-18(23)21(2)15-11-7-6-10-14(15)20-16/h3-12H,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeyQSAHIGJLDXVJEB-GFCCVEGCSA-N
XLogP2.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 50808151
N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46365020
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 74235313
4-methyl-3-oxo-N-pyridin-2-ylquinoxaline-2-carboxamide
CID 53009406
(2R)-2-[[(1R)-1-(4-methyl-3-oxoquinoxalin-2-yl)ethyl]amino]-2-phenylacetamide
CID 68862680
1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide
CID 110765787
4-bromo-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 19262736
N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 118778692
4-methyl-3-oxo-N-[5-[(1S)-1-phenoxyethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-2-carboxamide
CID 92626244
2-acetyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 124608305
4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide
CID 46395275
(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine
CID 81351559

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide?
The IUPAC name of 4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide (CID 92877606) is 4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide.
What is the SMILES notation for 4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide?
The canonical SMILES for 4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide is C[C@@H](NC(=O)c1nc2ccccc2n(C)c1=O)c1ccccc1.
What is the InChIKey of 4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide?
The InChIKey is QSAHIGJLDXVJEB-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12(13-8-4-3-5-9-13)19-17(22)16-18(23)21(2)15-11-7-6-10-14(15)20-16/h3-12H,1-2H3,(H,19,22)/t12-/m1/s1.
What are the key properties of 4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide?
4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 92877606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).