1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid

C15H15ClN2O2 — CID 71563708

IUPAC1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccnc3ccc(Cl)cc23)CC1
InChIInChI=1S/C15H15ClN2O2/c16-11-1-2-13-12(9-11)14(3-6-17-13)18-7-4-10(5-8-18)15(19)20/h1-3,6,9-10H,4-5,7-8H2,(H,19,20)
InChIKeySNDBXCUCAWVPQM-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.19
Rot. Bonds2

About 1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid

1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid (PubChem CID 71563708) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid
PubChem CID71563708
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccnc3ccc(Cl)cc23)CC1
InChIInChI=1S/C15H15ClN2O2/c16-11-1-2-13-12(9-11)14(3-6-17-13)18-7-4-10(5-8-18)15(19)20/h1-3,6,9-10H,4-5,7-8H2,(H,19,20)
InChIKeySNDBXCUCAWVPQM-UHFFFAOYSA-N
XLogP3.19
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid (CID 71563708) is 1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ccnc3ccc(Cl)cc23)CC1.
What is the InChIKey of 1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is SNDBXCUCAWVPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-11-1-2-13-12(9-11)14(3-6-17-13)18-7-4-10(5-8-18)15(19)20/h1-3,6,9-10H,4-5,7-8H2,(H,19,20).
What are the key properties of 1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid?
1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 290.75 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 71563708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).