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

C18H17NO3 — CID 171484531

IUPAC1-hydroxy-3-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-one
SMILESCOc1ccc(Cc2c(C)n(O)c3ccccc3c2=O)cc1
InChIInChI=1S/C18H17NO3/c1-12-16(11-13-7-9-14(22-2)10-8-13)18(20)15-5-3-4-6-17(15)19(12)21/h3-10,21H,11H2,1-2H3
InChIKeyBAGWGLJFSHBCEB-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.15
Rot. Bonds3

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

1-hydroxy-3-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-one (PubChem CID 171484531) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-hydroxy-3-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-one.

Molecular Properties

Compound Name1-hydroxy-3-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-one
PubChem CID171484531
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-hydroxy-3-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-one
SMILESCOc1ccc(Cc2c(C)n(O)c3ccccc3c2=O)cc1
InChIInChI=1S/C18H17NO3/c1-12-16(11-13-7-9-14(22-2)10-8-13)18(20)15-5-3-4-6-17(15)19(12)21/h3-10,21H,11H2,1-2H3
InChIKeyBAGWGLJFSHBCEB-UHFFFAOYSA-N
XLogP3.15
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 1-hydroxy-3-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hydroxy-2-methyl-3-[(4-nitrophenyl)methyl]quinolin-4-one
CID 171484516
4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
CID 54687716
4-[(1,2-dimethylindol-3-yl)methyl]-N-(4-methoxyphenyl)aniline;trihydroxy(methyl)-λ4-sulfane
CID 90935957
2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate
CID 46688678
6-chloro-7-fluoro-1-hydroxy-2-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-4-one
CID 171484548
3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one
CID 12751575
1,2,3,4-tetramethoxy-5-[(4-methoxyphenyl)methyl]-6-methylbenzene
CID 142654799
4-hydroxy-1-[(4-methoxyphenyl)methoxy]quinolin-2-one
CID 172846173
1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol
CID 2142444
3-[(4-methoxyphenyl)methyl]-1-benzothiophene-2-carbaldehyde
CID 138574709
3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
CID 166443268
10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one
CID 25141164

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-one?
The IUPAC name of 1-hydroxy-3-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-one (CID 171484531) is 1-hydroxy-3-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-one.
What is the SMILES notation for 1-hydroxy-3-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-one?
The canonical SMILES for 1-hydroxy-3-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-one is COc1ccc(Cc2c(C)n(O)c3ccccc3c2=O)cc1.
What is the InChIKey of 1-hydroxy-3-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-one?
The InChIKey is BAGWGLJFSHBCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12-16(11-13-7-9-14(22-2)10-8-13)18(20)15-5-3-4-6-17(15)19(12)21/h3-10,21H,11H2,1-2H3.
What are the key properties of 1-hydroxy-3-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-one?
1-hydroxy-3-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-one has a molecular weight of 295.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-one is sourced from PubChem (CID 171484531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).