6,8-dichloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid

C21H18Cl2N2O2 — CID 71556353

IUPAC6,8-dichloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid
SMILESO=C(O)c1c(N2CCCCC2)nc2c(Cl)cc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C21H18Cl2N2O2/c22-14-11-15-17(13-7-3-1-4-8-13)18(21(26)27)20(24-19(15)16(23)12-14)25-9-5-2-6-10-25/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,26,27)
InChIKeyCXDOFNPXCPTGNV-UHFFFAOYSA-N
MW401.29 g/mol
LogP5.90
Rot. Bonds3

About 6,8-dichloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid

6,8-dichloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid (PubChem CID 71556353) has the molecular formula C21H18Cl2N2O2 and a molecular weight of 401.29 g/mol. Its IUPAC name is 6,8-dichloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,8-dichloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid
PubChem CID71556353
Molecular FormulaC21H18Cl2N2O2
Molecular Weight401.29 g/mol
Exact Mass400.07
IUPAC Name6,8-dichloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid
SMILESO=C(O)c1c(N2CCCCC2)nc2c(Cl)cc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C21H18Cl2N2O2/c22-14-11-15-17(13-7-3-1-4-8-13)18(21(26)27)20(24-19(15)16(23)12-14)25-9-5-2-6-10-25/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,26,27)
InChIKeyCXDOFNPXCPTGNV-UHFFFAOYSA-N
XLogP5.90
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.29
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid?
The IUPAC name of 6,8-dichloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid (CID 71556353) is 6,8-dichloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 6,8-dichloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid?
The canonical SMILES for 6,8-dichloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid is O=C(O)c1c(N2CCCCC2)nc2c(Cl)cc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of 6,8-dichloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid?
The InChIKey is CXDOFNPXCPTGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O2/c22-14-11-15-17(13-7-3-1-4-8-13)18(21(26)27)20(24-19(15)16(23)12-14)25-9-5-2-6-10-25/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,26,27).
What are the key properties of 6,8-dichloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid?
6,8-dichloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid has a molecular weight of 401.29 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 71556353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).