7-(4-methylpiperidin-1-yl)quinoline-3-carboxylic acid

C16H18N2O2 — CID 172755774

IUPAC7-(4-methylpiperidin-1-yl)quinoline-3-carboxylic acid
SMILESCC1CCN(c2ccc3cc(C(=O)O)cnc3c2)CC1
InChIInChI=1S/C16H18N2O2/c1-11-4-6-18(7-5-11)14-3-2-12-8-13(16(19)20)10-17-15(12)9-14/h2-3,8-11H,4-7H2,1H3,(H,19,20)
InChIKeyKZQOSSDCZOVMEU-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.17
Rot. Bonds2

About 7-(4-methylpiperidin-1-yl)quinoline-3-carboxylic acid

7-(4-methylpiperidin-1-yl)quinoline-3-carboxylic acid (PubChem CID 172755774) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 7-(4-methylpiperidin-1-yl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(4-methylpiperidin-1-yl)quinoline-3-carboxylic acid
PubChem CID172755774
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name7-(4-methylpiperidin-1-yl)quinoline-3-carboxylic acid
SMILESCC1CCN(c2ccc3cc(C(=O)O)cnc3c2)CC1
InChIInChI=1S/C16H18N2O2/c1-11-4-6-18(7-5-11)14-3-2-12-8-13(16(19)20)10-17-15(12)9-14/h2-3,8-11H,4-7H2,1H3,(H,19,20)
InChIKeyKZQOSSDCZOVMEU-UHFFFAOYSA-N
XLogP3.17
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-carbamoylquinolin-7-yl)piperazine-1-carboxylic acid
CID 90014697
4-(4-methylpiperidin-1-yl)benzoate
CID 7023615
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 83132436
6-(4-methylpiperidin-1-yl)naphthalene-2-carbaldehyde
CID 151129511
7-cyclobutyl-6-methylquinoline-3-carboxylic acid
CID 129275964
N-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 109250908
7-(azetidin-1-yl)-1,6-naphthyridine-3-carboxylic acid
CID 142496402
6-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 117099177
(3S)-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxylic acid
CID 94217380
ethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate
CID 150911210
6,7-dihydroxyquinoline-3-carboxylic acid
CID 135795174
7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 22136439

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperidin-1-yl)quinoline-3-carboxylic acid?
The IUPAC name of 7-(4-methylpiperidin-1-yl)quinoline-3-carboxylic acid (CID 172755774) is 7-(4-methylpiperidin-1-yl)quinoline-3-carboxylic acid.
What is the SMILES notation for 7-(4-methylpiperidin-1-yl)quinoline-3-carboxylic acid?
The canonical SMILES for 7-(4-methylpiperidin-1-yl)quinoline-3-carboxylic acid is CC1CCN(c2ccc3cc(C(=O)O)cnc3c2)CC1.
What is the InChIKey of 7-(4-methylpiperidin-1-yl)quinoline-3-carboxylic acid?
The InChIKey is KZQOSSDCZOVMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-4-6-18(7-5-11)14-3-2-12-8-13(16(19)20)10-17-15(12)9-14/h2-3,8-11H,4-7H2,1H3,(H,19,20).
What are the key properties of 7-(4-methylpiperidin-1-yl)quinoline-3-carboxylic acid?
7-(4-methylpiperidin-1-yl)quinoline-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperidin-1-yl)quinoline-3-carboxylic acid is sourced from PubChem (CID 172755774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).