2-tert-butyl-7-methylquinoline-4-carboxylic acid

C15H17NO2 — CID 82184128

IUPAC2-tert-butyl-7-methylquinoline-4-carboxylic acid
SMILESCc1ccc2c(C(=O)O)cc(C(C)(C)C)nc2c1
InChIInChI=1S/C15H17NO2/c1-9-5-6-10-11(14(17)18)8-13(15(2,3)4)16-12(10)7-9/h5-8H,1-4H3,(H,17,18)
InChIKeyMEYGKUSYRVZAIZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.54
Rot. Bonds1

About 2-tert-butyl-7-methylquinoline-4-carboxylic acid

2-tert-butyl-7-methylquinoline-4-carboxylic acid (PubChem CID 82184128) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-tert-butyl-7-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-7-methylquinoline-4-carboxylic acid
PubChem CID82184128
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-tert-butyl-7-methylquinoline-4-carboxylic acid
SMILESCc1ccc2c(C(=O)O)cc(C(C)(C)C)nc2c1
InChIInChI=1S/C15H17NO2/c1-9-5-6-10-11(14(17)18)8-13(15(2,3)4)16-12(10)7-9/h5-8H,1-4H3,(H,17,18)
InChIKeyMEYGKUSYRVZAIZ-UHFFFAOYSA-N
XLogP3.54
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-7-methylquinoline-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

7-methylquinoline-2,4-dicarboxylic acid
CID 121010351
9-tert-butyl-3,6-dimethylacridine
CID 159242363
7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid
CID 71385990
2-tert-butyl-6-methylquinolin-4-amine
CID 62202003
6-methylnaphthalene-1,4-dicarboxylic acid
CID 23139708
6-tert-butyl-2-(2,5-dimethylphenyl)quinoline-4-carboxylic acid
CID 3879145
6-tert-butyl-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid
CID 3921537
6-tert-butyl-3-methylpyridazine-4-carboxylic acid
CID 96623276
2-(6-bromo-2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)-7-methylquinoline-4-carboxylic acid
CID 164679714
1-(2-tert-butyl-6-ethylquinolin-4-yl)ethanone
CID 82448312
2-tert-butyl-5,7-dimethylquinoline-4-carbohydrazide
CID 82448696
methyl 2-amino-7-methylquinoline-4-carboxylate
CID 84622204

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-tert-butyl-7-methylquinoline-4-carboxylic acid (CID 82184128) is 2-tert-butyl-7-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-7-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-tert-butyl-7-methylquinoline-4-carboxylic acid is Cc1ccc2c(C(=O)O)cc(C(C)(C)C)nc2c1.
What is the InChIKey of 2-tert-butyl-7-methylquinoline-4-carboxylic acid?
The InChIKey is MEYGKUSYRVZAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-9-5-6-10-11(14(17)18)8-13(15(2,3)4)16-12(10)7-9/h5-8H,1-4H3,(H,17,18).
What are the key properties of 2-tert-butyl-7-methylquinoline-4-carboxylic acid?
2-tert-butyl-7-methylquinoline-4-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 82184128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).