4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide

C20H21N3O2 — CID 46324669

IUPAC4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cn2c(=O)c(C)nc3ccccc32)cc1
InChIInChI=1S/C20H21N3O2/c1-3-12-21-19(24)16-10-8-15(9-11-16)13-23-18-7-5-4-6-17(18)22-14(2)20(23)25/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyAQAAZCOJNNEFEA-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.89
Rot. Bonds5

About 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide

4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide (PubChem CID 46324669) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide
PubChem CID46324669
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cn2c(=O)c(C)nc3ccccc32)cc1
InChIInChI=1S/C20H21N3O2/c1-3-12-21-19(24)16-10-8-15(9-11-16)13-23-18-7-5-4-6-17(18)22-14(2)20(23)25/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyAQAAZCOJNNEFEA-UHFFFAOYSA-N
XLogP2.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 92869667
N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324645
N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324732
N-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324664
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 92869686
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 46324693
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide
CID 92869678
1-benzyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53005123
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324731
1-benzyl-N-(3-ethoxypropyl)-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058345

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide?
The IUPAC name of 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide (CID 46324669) is 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide.
What is the SMILES notation for 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide?
The canonical SMILES for 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide is CCCNC(=O)c1ccc(Cn2c(=O)c(C)nc3ccccc32)cc1.
What is the InChIKey of 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide?
The InChIKey is AQAAZCOJNNEFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-12-21-19(24)16-10-8-15(9-11-16)13-23-18-7-5-4-6-17(18)22-14(2)20(23)25/h4-11H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide?
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide has a molecular weight of 335.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide is sourced from PubChem (CID 46324669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).