6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid

C21H21NO3 — CID 842809

IUPAC6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3cccc(OCC(C)C)c3)cc(C(=O)O)c2c1
InChIInChI=1S/C21H21NO3/c1-13(2)12-25-16-6-4-5-15(10-16)20-11-18(21(23)24)17-9-14(3)7-8-19(17)22-20/h4-11,13H,12H2,1-3H3,(H,23,24)
InChIKeyKQCMTINULIFPGT-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.94
Rot. Bonds5

About 6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid

6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid (PubChem CID 842809) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid
PubChem CID842809
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3cccc(OCC(C)C)c3)cc(C(=O)O)c2c1
InChIInChI=1S/C21H21NO3/c1-13(2)12-25-16-6-4-5-15(10-16)20-11-18(21(23)24)17-9-14(3)7-8-19(17)22-20/h4-11,13H,12H2,1-3H3,(H,23,24)
InChIKeyKQCMTINULIFPGT-UHFFFAOYSA-N
XLogP4.94
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid 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

2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4744706
[2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl]-morpholin-4-ylmethanone
CID 1023123
6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 1229845
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644
1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
CID 144804713
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265
2-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]-6-methylquinoline-4-carboxylic acid
CID 168639210
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42750037
3-[3-(2-methylpropoxy)phenyl]-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82446055
2-(3-methylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4272780
1-butyl-3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]amino]urea
CID 11838247
2-(3-methoxyphenyl)-6-methyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 42750059

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid (CID 842809) is 6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid is Cc1ccc2nc(-c3cccc(OCC(C)C)c3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid?
The InChIKey is KQCMTINULIFPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-13(2)12-25-16-6-4-5-15(10-16)20-11-18(21(23)24)17-9-14(3)7-8-19(17)22-20/h4-11,13H,12H2,1-3H3,(H,23,24).
What are the key properties of 6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid?
6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 842809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).