3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one

C18H17NO2 — CID 166443268

IUPAC3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
SMILESCOc1ccc(Cc2cc3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C18H17NO2/c1-19-17-6-4-3-5-14(17)12-15(18(19)20)11-13-7-9-16(21-2)10-8-13/h3-10,12H,11H2,1-2H3
InChIKeyXKYROQOVBVSBFT-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.14
Rot. Bonds3

About 3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one

3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one (PubChem CID 166443268) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
PubChem CID166443268
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
SMILESCOc1ccc(Cc2cc3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C18H17NO2/c1-19-17-6-4-3-5-14(17)12-15(18(19)20)11-13-7-9-16(21-2)10-8-13/h3-10,12H,11H2,1-2H3
InChIKeyXKYROQOVBVSBFT-UHFFFAOYSA-N
XLogP3.14
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one
CID 166443267
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-methylquinolin-2-one
CID 101403240
3-ethyl-7-methoxy-1-methylquinolin-2-one
CID 143543946
4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
CID 54687716
3-(2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 59736944
3-[(2-bromo-5-methoxyphenyl)methoxy]-1-methylquinolin-2-one
CID 11406181
1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
CID 4914630
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
11-benzyl-14,15-bis(4-methoxyphenyl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,8,10,13(16),14-heptaen-12-one
CID 71722384
3-(benzenesulfonylmethyl)-1-methylquinolin-2-one
CID 18801719
3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 116985074
1-[2-(4-methoxyphenyl)ethyl]-2-methylindole
CID 65444625

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one (CID 166443268) is 3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one is COc1ccc(Cc2cc3ccccc3n(C)c2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one?
The InChIKey is XKYROQOVBVSBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-19-17-6-4-3-5-14(17)12-15(18(19)20)11-13-7-9-16(21-2)10-8-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one?
3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one has a molecular weight of 279.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one is sourced from PubChem (CID 166443268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).