6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid

C21H19ClN2O2 — CID 71556223

IUPAC6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid
SMILESO=C(O)c1c(N2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26)
InChIKeyURBVMCHIBNRDKB-UHFFFAOYSA-N
MW366.85 g/mol
LogP5.24
Rot. Bonds3

About 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid

6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid (PubChem CID 71556223) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid
PubChem CID71556223
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid
SMILESO=C(O)c1c(N2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26)
InChIKeyURBVMCHIBNRDKB-UHFFFAOYSA-N
XLogP5.24
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid (CID 71556223) is 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid is O=C(O)c1c(N2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid?
The InChIKey is URBVMCHIBNRDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26).
What are the key properties of 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid?
6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid has a molecular weight of 366.85 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 71556223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).