1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one

C18H17NO — CID 59110361

IUPAC1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
SMILESCc1ccc(-c2cn(C)c3cc(C)ccc3c2=O)cc1
InChIInChI=1S/C18H17NO/c1-12-4-7-14(8-5-12)16-11-19(3)17-10-13(2)6-9-15(17)18(16)20/h4-11H,1-3H3
InChIKeyOJQBOEBDEQCUTB-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.82
Rot. Bonds1

About 1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one

1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one (PubChem CID 59110361) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one.

Molecular Properties

Compound Name1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
PubChem CID59110361
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
SMILESCc1ccc(-c2cn(C)c3cc(C)ccc3c2=O)cc1
InChIInChI=1S/C18H17NO/c1-12-4-7-14(8-5-12)16-11-19(3)17-10-13(2)6-9-15(17)18(16)20/h4-11H,1-3H3
InChIKeyOJQBOEBDEQCUTB-UHFFFAOYSA-N
XLogP3.82
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,7-dimethyl-3-(4-methylphenyl)quinolin-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

3-(4-chlorophenyl)-1,6-dimethylquinolin-4-one
CID 166443945
3-(4-bromophenyl)-1,6-dimethylquinolin-4-one
CID 166443946
5-amino-1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
CID 59110393
2-[7-methyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]acetonitrile
CID 59110332
1-methyl-3-(4-methylphenyl)indole
CID 58931542
2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-(4-methylphenyl)acetamide
CID 25016735
(1,6-dimethylindol-3-yl)-trimethylsilane
CID 177474758
6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one
CID 166442294
7-bromo-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one
CID 13474410
1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone
CID 103513702
5-(1,6-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 115108884
1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-oxoethyl]-7-methyl-3-phenylquinolin-4-one
CID 25018775

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one?
The IUPAC name of 1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one (CID 59110361) is 1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one.
What is the SMILES notation for 1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one?
The canonical SMILES for 1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one is Cc1ccc(-c2cn(C)c3cc(C)ccc3c2=O)cc1.
What is the InChIKey of 1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one?
The InChIKey is OJQBOEBDEQCUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-12-4-7-14(8-5-12)16-11-19(3)17-10-13(2)6-9-15(17)18(16)20/h4-11H,1-3H3.
What are the key properties of 1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one?
1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one has a molecular weight of 263.34 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one is sourced from PubChem (CID 59110361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).