6-hydroxy-4-propan-2-ylquinoline-3-carboxylic acid

C13H13NO3 — CID 105489171

IUPAC6-hydroxy-4-propan-2-ylquinoline-3-carboxylic acid
SMILESCC(C)c1c(C(=O)O)cnc2ccc(O)cc12
InChIInChI=1S/C13H13NO3/c1-7(2)12-9-5-8(15)3-4-11(9)14-6-10(12)13(16)17/h3-7,15H,1-2H3,(H,16,17)
InChIKeyJKKHBVWNUAJCBF-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.76
Rot. Bonds2

About 6-hydroxy-4-propan-2-ylquinoline-3-carboxylic acid

6-hydroxy-4-propan-2-ylquinoline-3-carboxylic acid (PubChem CID 105489171) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 6-hydroxy-4-propan-2-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-4-propan-2-ylquinoline-3-carboxylic acid
PubChem CID105489171
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name6-hydroxy-4-propan-2-ylquinoline-3-carboxylic acid
SMILESCC(C)c1c(C(=O)O)cnc2ccc(O)cc12
InChIInChI=1S/C13H13NO3/c1-7(2)12-9-5-8(15)3-4-11(9)14-6-10(12)13(16)17/h3-7,15H,1-2H3,(H,16,17)
InChIKeyJKKHBVWNUAJCBF-UHFFFAOYSA-N
XLogP2.76
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-hydroxy-4-propan-2-ylquinoline-3-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

3-chloro-4-propan-2-ylquinolin-6-ol
CID 105478564
4-(1-methoxyethyl)quinoline-3-carboxylic acid
CID 135324304
ethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate
CID 169258410
4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61339360
6-fluoro-4-propan-2-ylquinolin-3-ol
CID 105457227
3-bromo-4-propan-2-ylquinolin-7-ol
CID 136900866
4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid
CID 55090979
4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61340980
5-fluoro-4-propan-2-ylpyridine-3-carboxylic acid
CID 84658926
4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 20982484
5-hydroxy-2-(6-hydroxy-4-oxoquinazolin-3-yl)benzoic acid
CID 24971000
4-(3-hydroxybutan-2-ylsulfanyl)quinoline-3-carboxylic acid
CID 107770192

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-propan-2-ylquinoline-3-carboxylic acid?
The IUPAC name of 6-hydroxy-4-propan-2-ylquinoline-3-carboxylic acid (CID 105489171) is 6-hydroxy-4-propan-2-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 6-hydroxy-4-propan-2-ylquinoline-3-carboxylic acid?
The canonical SMILES for 6-hydroxy-4-propan-2-ylquinoline-3-carboxylic acid is CC(C)c1c(C(=O)O)cnc2ccc(O)cc12.
What is the InChIKey of 6-hydroxy-4-propan-2-ylquinoline-3-carboxylic acid?
The InChIKey is JKKHBVWNUAJCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-7(2)12-9-5-8(15)3-4-11(9)14-6-10(12)13(16)17/h3-7,15H,1-2H3,(H,16,17).
What are the key properties of 6-hydroxy-4-propan-2-ylquinoline-3-carboxylic acid?
6-hydroxy-4-propan-2-ylquinoline-3-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-propan-2-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 105489171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).