3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide

C22H24N2O2 — CID 945176

IUPAC3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide
SMILESCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccc(C)c1
InChIInChI=1S/C22H24N2O2/c1-4-10-24(22(26)18-7-5-6-15(2)11-18)14-19-13-17-9-8-16(3)12-20(17)23-21(19)25/h5-9,11-13H,4,10,14H2,1-3H3,(H,23,25)
InChIKeyVNPPWTGISHTPPJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.20
Rot. Bonds5

About 3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide

3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide (PubChem CID 945176) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide
PubChem CID945176
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide
SMILESCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccc(C)c1
InChIInChI=1S/C22H24N2O2/c1-4-10-24(22(26)18-7-5-6-15(2)11-18)14-19-13-17-9-8-16(3)12-20(17)23-21(19)25/h5-9,11-13H,4,10,14H2,1-3H3,(H,23,25)
InChIKeyVNPPWTGISHTPPJ-UHFFFAOYSA-N
XLogP4.20
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide
CID 1391861
N-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1452932
N-ethyl-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 945135
3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1077957
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitro-N-propylbenzamide
CID 4020279
3-chloro-N-ethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3159255
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide
CID 934261
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)butanamide
CID 930030
N-(3-hydroxypropyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 3193868
N-ethyl-3-methoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1427703
N-ethyl-4-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 943147
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide
CID 17096449

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide?
The IUPAC name of 3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide (CID 945176) is 3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide.
What is the SMILES notation for 3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide?
The canonical SMILES for 3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide is CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccc(C)c1.
What is the InChIKey of 3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide?
The InChIKey is VNPPWTGISHTPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-4-10-24(22(26)18-7-5-6-15(2)11-18)14-19-13-17-9-8-16(3)12-20(17)23-21(19)25/h5-9,11-13H,4,10,14H2,1-3H3,(H,23,25).
What are the key properties of 3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide?
3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide has a molecular weight of 348.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide is sourced from PubChem (CID 945176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).