5-methyl-3-(2-methylphenyl)-8-propoxy-1H-quinolin-4-one

C20H21NO2 — CID 58465310

IUPAC5-methyl-3-(2-methylphenyl)-8-propoxy-1H-quinolin-4-one
SMILESCCCOc1ccc(C)c2c(=O)c(-c3ccccc3C)c[nH]c12
InChIInChI=1S/C20H21NO2/c1-4-11-23-17-10-9-14(3)18-19(17)21-12-16(20(18)22)15-8-6-5-7-13(15)2/h5-10,12H,4,11H2,1-3H3,(H,21,22)
InChIKeyVIXLSCALETWXMH-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.60
Rot. Bonds4

About 5-methyl-3-(2-methylphenyl)-8-propoxy-1H-quinolin-4-one

5-methyl-3-(2-methylphenyl)-8-propoxy-1H-quinolin-4-one (PubChem CID 58465310) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 5-methyl-3-(2-methylphenyl)-8-propoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name5-methyl-3-(2-methylphenyl)-8-propoxy-1H-quinolin-4-one
PubChem CID58465310
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name5-methyl-3-(2-methylphenyl)-8-propoxy-1H-quinolin-4-one
SMILESCCCOc1ccc(C)c2c(=O)c(-c3ccccc3C)c[nH]c12
InChIInChI=1S/C20H21NO2/c1-4-11-23-17-10-9-14(3)18-19(17)21-12-16(20(18)22)15-8-6-5-7-13(15)2/h5-10,12H,4,11H2,1-3H3,(H,21,22)
InChIKeyVIXLSCALETWXMH-UHFFFAOYSA-N
XLogP4.60
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-3-(2-methylphenyl)-8-propoxy-1H-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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylphenyl)-8-propoxy-1H-quinolin-4-one?
The IUPAC name of 5-methyl-3-(2-methylphenyl)-8-propoxy-1H-quinolin-4-one (CID 58465310) is 5-methyl-3-(2-methylphenyl)-8-propoxy-1H-quinolin-4-one.
What is the SMILES notation for 5-methyl-3-(2-methylphenyl)-8-propoxy-1H-quinolin-4-one?
The canonical SMILES for 5-methyl-3-(2-methylphenyl)-8-propoxy-1H-quinolin-4-one is CCCOc1ccc(C)c2c(=O)c(-c3ccccc3C)c[nH]c12.
What is the InChIKey of 5-methyl-3-(2-methylphenyl)-8-propoxy-1H-quinolin-4-one?
The InChIKey is VIXLSCALETWXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-4-11-23-17-10-9-14(3)18-19(17)21-12-16(20(18)22)15-8-6-5-7-13(15)2/h5-10,12H,4,11H2,1-3H3,(H,21,22).
What are the key properties of 5-methyl-3-(2-methylphenyl)-8-propoxy-1H-quinolin-4-one?
5-methyl-3-(2-methylphenyl)-8-propoxy-1H-quinolin-4-one has a molecular weight of 307.39 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylphenyl)-8-propoxy-1H-quinolin-4-one is sourced from PubChem (CID 58465310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).