5-chloro-7-[(4-fluorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol

C21H20ClFN2O — CID 4639000

IUPAC5-chloro-7-[(4-fluorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol
SMILESOc1c(C(c2ccc(F)cc2)N2CCCCC2)cc(Cl)c2cccnc12
InChIInChI=1S/C21H20ClFN2O/c22-18-13-17(21(26)19-16(18)5-4-10-24-19)20(25-11-2-1-3-12-25)14-6-8-15(23)9-7-14/h4-10,13,20,26H,1-3,11-12H2
InChIKeyJCVPXJKIBDXWSC-UHFFFAOYSA-N
MW370.86 g/mol
LogP5.31
Rot. Bonds3

About 5-chloro-7-[(4-fluorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol

5-chloro-7-[(4-fluorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol (PubChem CID 4639000) has the molecular formula C21H20ClFN2O and a molecular weight of 370.86 g/mol. Its IUPAC name is 5-chloro-7-[(4-fluorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-[(4-fluorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol
PubChem CID4639000
Molecular FormulaC21H20ClFN2O
Molecular Weight370.86 g/mol
Exact Mass370.12
IUPAC Name5-chloro-7-[(4-fluorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol
SMILESOc1c(C(c2ccc(F)cc2)N2CCCCC2)cc(Cl)c2cccnc12
InChIInChI=1S/C21H20ClFN2O/c22-18-13-17(21(26)19-16(18)5-4-10-24-19)20(25-11-2-1-3-12-25)14-6-8-15(23)9-7-14/h4-10,13,20,26H,1-3,11-12H2
InChIKeyJCVPXJKIBDXWSC-UHFFFAOYSA-N
XLogP5.31
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.86
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[(4-fluorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol?
The IUPAC name of 5-chloro-7-[(4-fluorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol (CID 4639000) is 5-chloro-7-[(4-fluorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-[(4-fluorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol?
The canonical SMILES for 5-chloro-7-[(4-fluorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol is Oc1c(C(c2ccc(F)cc2)N2CCCCC2)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-[(4-fluorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol?
The InChIKey is JCVPXJKIBDXWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O/c22-18-13-17(21(26)19-16(18)5-4-10-24-19)20(25-11-2-1-3-12-25)14-6-8-15(23)9-7-14/h4-10,13,20,26H,1-3,11-12H2.
What are the key properties of 5-chloro-7-[(4-fluorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol?
5-chloro-7-[(4-fluorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol has a molecular weight of 370.86 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[(4-fluorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 4639000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).