2-(3-hydroxy-4-methylphenyl)-1-methylquinolin-4-one

C17H15NO2 — CID 162740003

IUPAC2-(3-hydroxy-4-methylphenyl)-1-methylquinolin-4-one
SMILESCc1ccc(-c2cc(=O)c3ccccc3n2C)cc1O
InChIInChI=1S/C17H15NO2/c1-11-7-8-12(9-16(11)19)15-10-17(20)13-5-3-4-6-14(13)18(15)2/h3-10,19H,1-2H3
InChIKeySIVQHIBTASMVCL-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.22
Rot. Bonds1

About 2-(3-hydroxy-4-methylphenyl)-1-methylquinolin-4-one

2-(3-hydroxy-4-methylphenyl)-1-methylquinolin-4-one (PubChem CID 162740003) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylphenyl)-1-methylquinolin-4-one.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylphenyl)-1-methylquinolin-4-one
PubChem CID162740003
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-(3-hydroxy-4-methylphenyl)-1-methylquinolin-4-one
SMILESCc1ccc(-c2cc(=O)c3ccccc3n2C)cc1O
InChIInChI=1S/C17H15NO2/c1-11-7-8-12(9-16(11)19)15-10-17(20)13-5-3-4-6-14(13)18(15)2/h3-10,19H,1-2H3
InChIKeySIVQHIBTASMVCL-UHFFFAOYSA-N
XLogP3.22
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-one
CID 53322215
1-methyl-2-[2-(methylamino)phenyl]quinolin-4-one
CID 24767308
2-chloro-1-methylquinolin-4-one
CID 159375859
5-(3-hydroxy-4-methylphenyl)-2-methylphenol
CID 22942672
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927
2-ethyl-1-methylquinolin-4-one
CID 15733010
5-(2-hydroxyphenyl)-2-methylphenol
CID 53218780
1-tert-butyl-2-phenylquinolin-4-one
CID 166440287
1-(3-amino-4-methylphenyl)quinazolin-4-one
CID 82513868
ethane;3-hydroxy-1,2-dimethylquinolin-4-one
CID 91289410
4-(1,2-dimethylindol-3-yl)phenol
CID 82039937
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylphenyl)-1-methylquinolin-4-one?
The IUPAC name of 2-(3-hydroxy-4-methylphenyl)-1-methylquinolin-4-one (CID 162740003) is 2-(3-hydroxy-4-methylphenyl)-1-methylquinolin-4-one.
What is the SMILES notation for 2-(3-hydroxy-4-methylphenyl)-1-methylquinolin-4-one?
The canonical SMILES for 2-(3-hydroxy-4-methylphenyl)-1-methylquinolin-4-one is Cc1ccc(-c2cc(=O)c3ccccc3n2C)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methylphenyl)-1-methylquinolin-4-one?
The InChIKey is SIVQHIBTASMVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-7-8-12(9-16(11)19)15-10-17(20)13-5-3-4-6-14(13)18(15)2/h3-10,19H,1-2H3.
What are the key properties of 2-(3-hydroxy-4-methylphenyl)-1-methylquinolin-4-one?
2-(3-hydroxy-4-methylphenyl)-1-methylquinolin-4-one has a molecular weight of 265.31 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylphenyl)-1-methylquinolin-4-one is sourced from PubChem (CID 162740003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).