2-(5,8-dimethylquinolin-2-yl)-2-methylpropanoic acid

C15H17NO2 — CID 84630830

IUPAC2-(5,8-dimethylquinolin-2-yl)-2-methylpropanoic acid
SMILESCc1ccc(C)c2nc(C(C)(C)C(=O)O)ccc12
InChIInChI=1S/C15H17NO2/c1-9-5-6-10(2)13-11(9)7-8-12(16-13)15(3,4)14(17)18/h5-8H,1-4H3,(H,17,18)
InChIKeyXCKFLTKZDWRMDH-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.21
Rot. Bonds2

About 2-(5,8-dimethylquinolin-2-yl)-2-methylpropanoic acid

2-(5,8-dimethylquinolin-2-yl)-2-methylpropanoic acid (PubChem CID 84630830) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(5,8-dimethylquinolin-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(5,8-dimethylquinolin-2-yl)-2-methylpropanoic acid
PubChem CID84630830
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(5,8-dimethylquinolin-2-yl)-2-methylpropanoic acid
SMILESCc1ccc(C)c2nc(C(C)(C)C(=O)O)ccc12
InChIInChI=1S/C15H17NO2/c1-9-5-6-10(2)13-11(9)7-8-12(16-13)15(3,4)14(17)18/h5-8H,1-4H3,(H,17,18)
InChIKeyXCKFLTKZDWRMDH-UHFFFAOYSA-N
XLogP3.21
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5,8-dimethylquinolin-2-yl)-2-methylpropanoic 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-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid
CID 84642426
2-methyl-2-(4,5,7-trimethylquinolin-2-yl)propanoic acid
CID 84636605
5,8-dimethylquinoline-2,3-dicarboxylic acid
CID 17039937
CID 87258887
CID 87258887
2-tert-butyl-4,8-dimethylquinoline
CID 59432974
4,7,8-trimethylquinoline-2-carboxylic acid
CID 82574760
2-(5-methoxy-2-pyridinyl)-2-methylpropanoic acid
CID 86277143
2-methyl-2-pyrimidin-4-ylpropanoic acid
CID 82414356
2-methyl-2-(2-methyl-5-nitrophenyl)propanoic acid
CID 131526104
2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 99604658
2-tert-butyl-7,8-dimethylquinoline-4-carbohydrazide
CID 82448500
4,5-dimethylacridine-9-carboxylate
CID 7095758

Frequently Asked Questions

What is the IUPAC name of 2-(5,8-dimethylquinolin-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(5,8-dimethylquinolin-2-yl)-2-methylpropanoic acid (CID 84630830) is 2-(5,8-dimethylquinolin-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(5,8-dimethylquinolin-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(5,8-dimethylquinolin-2-yl)-2-methylpropanoic acid is Cc1ccc(C)c2nc(C(C)(C)C(=O)O)ccc12.
What is the InChIKey of 2-(5,8-dimethylquinolin-2-yl)-2-methylpropanoic acid?
The InChIKey is XCKFLTKZDWRMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-9-5-6-10(2)13-11(9)7-8-12(16-13)15(3,4)14(17)18/h5-8H,1-4H3,(H,17,18).
What are the key properties of 2-(5,8-dimethylquinolin-2-yl)-2-methylpropanoic acid?
2-(5,8-dimethylquinolin-2-yl)-2-methylpropanoic acid has a molecular weight of 243.31 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,8-dimethylquinolin-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 84630830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).