1-methyl-3-[(2-propylimidazol-1-yl)methyl]quinolin-2-one

C17H19N3O — CID 126819953

IUPAC1-methyl-3-[(2-propylimidazol-1-yl)methyl]quinolin-2-one
SMILESCCCc1nccn1Cc1cc2ccccc2n(C)c1=O
InChIInChI=1S/C17H19N3O/c1-3-6-16-18-9-10-20(16)12-14-11-13-7-4-5-8-15(13)19(2)17(14)21/h4-5,7-11H,3,6,12H2,1-2H3
InChIKeyWZMCEEHNRIQYNY-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.74
Rot. Bonds4

About 1-methyl-3-[(2-propylimidazol-1-yl)methyl]quinolin-2-one

1-methyl-3-[(2-propylimidazol-1-yl)methyl]quinolin-2-one (PubChem CID 126819953) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-methyl-3-[(2-propylimidazol-1-yl)methyl]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(2-propylimidazol-1-yl)methyl]quinolin-2-one
PubChem CID126819953
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-methyl-3-[(2-propylimidazol-1-yl)methyl]quinolin-2-one
SMILESCCCc1nccn1Cc1cc2ccccc2n(C)c1=O
InChIInChI=1S/C17H19N3O/c1-3-6-16-18-9-10-20(16)12-14-11-13-7-4-5-8-15(13)19(2)17(14)21/h4-5,7-11H,3,6,12H2,1-2H3
InChIKeyWZMCEEHNRIQYNY-UHFFFAOYSA-N
XLogP2.74
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 59736944
1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one
CID 166443267
2-fluoro-3-[(2-propylimidazol-1-yl)methyl]benzonitrile
CID 113350342
1-[(1-ethylimidazol-2-yl)methyl]-2-propylbenzimidazole
CID 116626980
1-methyl-2-propylindole
CID 13170349
1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole
CID 63811754
1-[2-(benzenesulfinyl)ethyl]-2-propylimidazole
CID 75433232
N-[[5-methyl-4-[(2-propylimidazol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine
CID 80729319
3-(benzenesulfonylmethyl)-1-methylquinolin-2-one
CID 18801719
3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 116985074
1-[(2-propylimidazol-1-yl)methyl]benzotriazole
CID 139199165
methyl 3-bromo-4-[(2-propylimidazol-1-yl)methyl]benzoate
CID 102766227

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-propylimidazol-1-yl)methyl]quinolin-2-one?
The IUPAC name of 1-methyl-3-[(2-propylimidazol-1-yl)methyl]quinolin-2-one (CID 126819953) is 1-methyl-3-[(2-propylimidazol-1-yl)methyl]quinolin-2-one.
What is the SMILES notation for 1-methyl-3-[(2-propylimidazol-1-yl)methyl]quinolin-2-one?
The canonical SMILES for 1-methyl-3-[(2-propylimidazol-1-yl)methyl]quinolin-2-one is CCCc1nccn1Cc1cc2ccccc2n(C)c1=O.
What is the InChIKey of 1-methyl-3-[(2-propylimidazol-1-yl)methyl]quinolin-2-one?
The InChIKey is WZMCEEHNRIQYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-6-16-18-9-10-20(16)12-14-11-13-7-4-5-8-15(13)19(2)17(14)21/h4-5,7-11H,3,6,12H2,1-2H3.
What are the key properties of 1-methyl-3-[(2-propylimidazol-1-yl)methyl]quinolin-2-one?
1-methyl-3-[(2-propylimidazol-1-yl)methyl]quinolin-2-one has a molecular weight of 281.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-propylimidazol-1-yl)methyl]quinolin-2-one is sourced from PubChem (CID 126819953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).