2-methyl-6-piperidin-3-ylquinoline-4-carboxylic acid

C16H18N2O2 — CID 165354987

IUPAC2-methyl-6-piperidin-3-ylquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2cc(C3CCCNC3)ccc2n1
InChIInChI=1S/C16H18N2O2/c1-10-7-14(16(19)20)13-8-11(4-5-15(13)18-10)12-3-2-6-17-9-12/h4-5,7-8,12,17H,2-3,6,9H2,1H3,(H,19,20)
InChIKeyYXCSXUGCWYHHPV-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.71
Rot. Bonds2

About 2-methyl-6-piperidin-3-ylquinoline-4-carboxylic acid

2-methyl-6-piperidin-3-ylquinoline-4-carboxylic acid (PubChem CID 165354987) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-methyl-6-piperidin-3-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-piperidin-3-ylquinoline-4-carboxylic acid
PubChem CID165354987
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-methyl-6-piperidin-3-ylquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2cc(C3CCCNC3)ccc2n1
InChIInChI=1S/C16H18N2O2/c1-10-7-14(16(19)20)13-8-11(4-5-15(13)18-10)12-3-2-6-17-9-12/h4-5,7-8,12,17H,2-3,6,9H2,1H3,(H,19,20)
InChIKeyYXCSXUGCWYHHPV-UHFFFAOYSA-N
XLogP2.71
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-6-piperidin-3-ylquinoline-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

4-carboxy-2-methylquinolin-6-olate
CID 54706535
4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
2-methyl-4-piperidin-3-ylphenol
CID 84663479
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole
CID 164553706
2-tert-butyl-6-piperidin-3-yl-1,3-benzothiazole
CID 117439012
2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide
CID 87320848
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 83424440
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
1-(4-piperidin-3-ylphenyl)ethanone
CID 83404173

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-piperidin-3-ylquinoline-4-carboxylic acid?
The IUPAC name of 2-methyl-6-piperidin-3-ylquinoline-4-carboxylic acid (CID 165354987) is 2-methyl-6-piperidin-3-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-methyl-6-piperidin-3-ylquinoline-4-carboxylic acid?
The canonical SMILES for 2-methyl-6-piperidin-3-ylquinoline-4-carboxylic acid is Cc1cc(C(=O)O)c2cc(C3CCCNC3)ccc2n1.
What is the InChIKey of 2-methyl-6-piperidin-3-ylquinoline-4-carboxylic acid?
The InChIKey is YXCSXUGCWYHHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-7-14(16(19)20)13-8-11(4-5-15(13)18-10)12-3-2-6-17-9-12/h4-5,7-8,12,17H,2-3,6,9H2,1H3,(H,19,20).
What are the key properties of 2-methyl-6-piperidin-3-ylquinoline-4-carboxylic acid?
2-methyl-6-piperidin-3-ylquinoline-4-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-piperidin-3-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 165354987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).