3-[4-(4-chlorophenyl)piperidin-1-yl]-2-phenylquinoline-6-carboxylic acid

C27H23ClN2O2 — CID 141344848

IUPAC3-[4-(4-chlorophenyl)piperidin-1-yl]-2-phenylquinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CCC(c4ccc(Cl)cc4)CC3)cc2c1
InChIInChI=1S/C27H23ClN2O2/c28-23-9-6-18(7-10-23)19-12-14-30(15-13-19)25-17-22-16-21(27(31)32)8-11-24(22)29-26(25)20-4-2-1-3-5-20/h1-11,16-17,19H,12-15H2,(H,31,32)
InChIKeyQHADTJAOWJCNJY-UHFFFAOYSA-N
MW442.95 g/mol
LogP6.64
Rot. Bonds4

About 3-[4-(4-chlorophenyl)piperidin-1-yl]-2-phenylquinoline-6-carboxylic acid

3-[4-(4-chlorophenyl)piperidin-1-yl]-2-phenylquinoline-6-carboxylic acid (PubChem CID 141344848) has the molecular formula C27H23ClN2O2 and a molecular weight of 442.95 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperidin-1-yl]-2-phenylquinoline-6-carboxylic acid.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperidin-1-yl]-2-phenylquinoline-6-carboxylic acid
PubChem CID141344848
Molecular FormulaC27H23ClN2O2
Molecular Weight442.95 g/mol
Exact Mass442.14
IUPAC Name3-[4-(4-chlorophenyl)piperidin-1-yl]-2-phenylquinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CCC(c4ccc(Cl)cc4)CC3)cc2c1
InChIInChI=1S/C27H23ClN2O2/c28-23-9-6-18(7-10-23)19-12-14-30(15-13-19)25-17-22-16-21(27(31)32)8-11-24(22)29-26(25)20-4-2-1-3-5-20/h1-11,16-17,19H,12-15H2,(H,31,32)
InChIKeyQHADTJAOWJCNJY-UHFFFAOYSA-N
XLogP6.64
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.95
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperidin-1-yl]-2-phenylquinoline-6-carboxylic acid?
The IUPAC name of 3-[4-(4-chlorophenyl)piperidin-1-yl]-2-phenylquinoline-6-carboxylic acid (CID 141344848) is 3-[4-(4-chlorophenyl)piperidin-1-yl]-2-phenylquinoline-6-carboxylic acid.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperidin-1-yl]-2-phenylquinoline-6-carboxylic acid?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperidin-1-yl]-2-phenylquinoline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCC(c4ccc(Cl)cc4)CC3)cc2c1.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperidin-1-yl]-2-phenylquinoline-6-carboxylic acid?
The InChIKey is QHADTJAOWJCNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O2/c28-23-9-6-18(7-10-23)19-12-14-30(15-13-19)25-17-22-16-21(27(31)32)8-11-24(22)29-26(25)20-4-2-1-3-5-20/h1-11,16-17,19H,12-15H2,(H,31,32).
What are the key properties of 3-[4-(4-chlorophenyl)piperidin-1-yl]-2-phenylquinoline-6-carboxylic acid?
3-[4-(4-chlorophenyl)piperidin-1-yl]-2-phenylquinoline-6-carboxylic acid has a molecular weight of 442.95 g/mol, XLogP of 6.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperidin-1-yl]-2-phenylquinoline-6-carboxylic acid is sourced from PubChem (CID 141344848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).