6-(1-propan-2-ylpiperidin-4-yl)quinoline-5-carboxylic acid

C18H22N2O2 — CID 174844364

IUPAC6-(1-propan-2-ylpiperidin-4-yl)quinoline-5-carboxylic acid
SMILESCC(C)N1CCC(c2ccc3ncccc3c2C(=O)O)CC1
InChIInChI=1S/C18H22N2O2/c1-12(2)20-10-7-13(8-11-20)14-5-6-16-15(4-3-9-19-16)17(14)18(21)22/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,21,22)
InChIKeyVVCBUPBHYMWCGK-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.52
Rot. Bonds3

About 6-(1-propan-2-ylpiperidin-4-yl)quinoline-5-carboxylic acid

6-(1-propan-2-ylpiperidin-4-yl)quinoline-5-carboxylic acid (PubChem CID 174844364) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-(1-propan-2-ylpiperidin-4-yl)quinoline-5-carboxylic acid.

Molecular Properties

Compound Name6-(1-propan-2-ylpiperidin-4-yl)quinoline-5-carboxylic acid
PubChem CID174844364
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name6-(1-propan-2-ylpiperidin-4-yl)quinoline-5-carboxylic acid
SMILESCC(C)N1CCC(c2ccc3ncccc3c2C(=O)O)CC1
InChIInChI=1S/C18H22N2O2/c1-12(2)20-10-7-13(8-11-20)14-5-6-16-15(4-3-9-19-16)17(14)18(21)22/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,21,22)
InChIKeyVVCBUPBHYMWCGK-UHFFFAOYSA-N
XLogP3.52
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(1-propan-2-ylpiperidin-4-yl)quinoline-5-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

Frequently Asked Questions

What is the IUPAC name of 6-(1-propan-2-ylpiperidin-4-yl)quinoline-5-carboxylic acid?
The IUPAC name of 6-(1-propan-2-ylpiperidin-4-yl)quinoline-5-carboxylic acid (CID 174844364) is 6-(1-propan-2-ylpiperidin-4-yl)quinoline-5-carboxylic acid.
What is the SMILES notation for 6-(1-propan-2-ylpiperidin-4-yl)quinoline-5-carboxylic acid?
The canonical SMILES for 6-(1-propan-2-ylpiperidin-4-yl)quinoline-5-carboxylic acid is CC(C)N1CCC(c2ccc3ncccc3c2C(=O)O)CC1.
What is the InChIKey of 6-(1-propan-2-ylpiperidin-4-yl)quinoline-5-carboxylic acid?
The InChIKey is VVCBUPBHYMWCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12(2)20-10-7-13(8-11-20)14-5-6-16-15(4-3-9-19-16)17(14)18(21)22/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,21,22).
What are the key properties of 6-(1-propan-2-ylpiperidin-4-yl)quinoline-5-carboxylic acid?
6-(1-propan-2-ylpiperidin-4-yl)quinoline-5-carboxylic acid has a molecular weight of 298.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-propan-2-ylpiperidin-4-yl)quinoline-5-carboxylic acid is sourced from PubChem (CID 174844364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).