1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one

C18H17NO — CID 166443267

IUPAC1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one
SMILESCc1ccc(Cc2cc3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C18H17NO/c1-13-7-9-14(10-8-13)11-16-12-15-5-3-4-6-17(15)19(2)18(16)20/h3-10,12H,11H2,1-2H3
InChIKeyOUWIMQSVBVVIIY-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.44
Rot. Bonds2

About 1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one

1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one (PubChem CID 166443267) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one
PubChem CID166443267
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one
SMILESCc1ccc(Cc2cc3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C18H17NO/c1-13-7-9-14(10-8-13)11-16-12-15-5-3-4-6-17(15)19(2)18(16)20/h3-10,12H,11H2,1-2H3
InChIKeyOUWIMQSVBVVIIY-UHFFFAOYSA-N
XLogP3.44
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
CID 166443268
3-(2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 59736944
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-methylquinolin-2-one
CID 101403240
3-(benzenesulfonylmethyl)-1-methylquinolin-2-one
CID 18801719
3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 116985074
1-methyl-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(4-methylphenyl)thiourea
CID 42536974
3-(hydroxymethyl)-1,7-dimethylquinolin-2-one
CID 18802191
3-iodo-1-methylquinolin-2-one
CID 15733001
3-amino-1-methylquinolin-2-one
CID 19417653
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one
CID 91765227
3-(2-aminoethyl)-1,7-dimethylquinolin-2-one
CID 115029633
1-methyl-3-[(2-propylimidazol-1-yl)methyl]quinolin-2-one
CID 126819953

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one?
The IUPAC name of 1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one (CID 166443267) is 1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one.
What is the SMILES notation for 1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one?
The canonical SMILES for 1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one is Cc1ccc(Cc2cc3ccccc3n(C)c2=O)cc1.
What is the InChIKey of 1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one?
The InChIKey is OUWIMQSVBVVIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-13-7-9-14(10-8-13)11-16-12-15-5-3-4-6-17(15)19(2)18(16)20/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one?
1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one has a molecular weight of 263.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one is sourced from PubChem (CID 166443267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).