4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide

C19H19N3O2 — CID 46395275

IUPAC4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2nc3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C19H19N3O2/c1-12(2)20-18(23)14-10-8-13(9-11-14)17-19(24)22(3)16-7-5-4-6-15(16)21-17/h4-12H,1-3H3,(H,20,23)
InChIKeyMABAJANZFDPAFK-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.74
Rot. Bonds3

About 4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide

4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide (PubChem CID 46395275) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide
PubChem CID46395275
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2nc3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C19H19N3O2/c1-12(2)20-18(23)14-10-8-13(9-11-14)17-19(24)22(3)16-7-5-4-6-15(16)21-17/h4-12H,1-3H3,(H,20,23)
InChIKeyMABAJANZFDPAFK-UHFFFAOYSA-N
XLogP2.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide
CID 92898885
3-(4-bromophenyl)-1-methylquinoxalin-2-one
CID 132610080
4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide
CID 50838506
4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 751122
N-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
CID 50838498
1-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 154796285
4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide
CID 92877606
N-(3-ethoxypropyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
CID 50838486
4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 50838551
3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 17010086
5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide
CID 4731737
4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 92884755

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide (CID 46395275) is 4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(-c2nc3ccccc3n(C)c2=O)cc1.
What is the InChIKey of 4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide?
The InChIKey is MABAJANZFDPAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12(2)20-18(23)14-10-8-13(9-11-14)17-19(24)22(3)16-7-5-4-6-15(16)21-17/h4-12H,1-3H3,(H,20,23).
What are the key properties of 4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide?
4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 46395275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).