5-chloro-7-[piperidin-1-yl(pyridin-2-yl)methyl]quinolin-8-ol

C20H20ClN3O — CID 3491105

IUPAC5-chloro-7-[piperidin-1-yl(pyridin-2-yl)methyl]quinolin-8-ol
SMILESOc1c(C(c2ccccn2)N2CCCCC2)cc(Cl)c2cccnc12
InChIInChI=1S/C20H20ClN3O/c21-16-13-15(20(25)18-14(16)7-6-10-23-18)19(17-8-2-3-9-22-17)24-11-4-1-5-12-24/h2-3,6-10,13,19,25H,1,4-5,11-12H2
InChIKeyUUKXQRCKOJRJOL-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.56
Rot. Bonds3

About 5-chloro-7-[piperidin-1-yl(pyridin-2-yl)methyl]quinolin-8-ol

5-chloro-7-[piperidin-1-yl(pyridin-2-yl)methyl]quinolin-8-ol (PubChem CID 3491105) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 5-chloro-7-[piperidin-1-yl(pyridin-2-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-[piperidin-1-yl(pyridin-2-yl)methyl]quinolin-8-ol
PubChem CID3491105
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name5-chloro-7-[piperidin-1-yl(pyridin-2-yl)methyl]quinolin-8-ol
SMILESOc1c(C(c2ccccn2)N2CCCCC2)cc(Cl)c2cccnc12
InChIInChI=1S/C20H20ClN3O/c21-16-13-15(20(25)18-14(16)7-6-10-23-18)19(17-8-2-3-9-22-17)24-11-4-1-5-12-24/h2-3,6-10,13,19,25H,1,4-5,11-12H2
InChIKeyUUKXQRCKOJRJOL-UHFFFAOYSA-N
XLogP4.56
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[piperidin-1-yl(pyridin-2-yl)methyl]quinolin-8-ol?
The IUPAC name of 5-chloro-7-[piperidin-1-yl(pyridin-2-yl)methyl]quinolin-8-ol (CID 3491105) is 5-chloro-7-[piperidin-1-yl(pyridin-2-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-[piperidin-1-yl(pyridin-2-yl)methyl]quinolin-8-ol?
The canonical SMILES for 5-chloro-7-[piperidin-1-yl(pyridin-2-yl)methyl]quinolin-8-ol is Oc1c(C(c2ccccn2)N2CCCCC2)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-[piperidin-1-yl(pyridin-2-yl)methyl]quinolin-8-ol?
The InChIKey is UUKXQRCKOJRJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c21-16-13-15(20(25)18-14(16)7-6-10-23-18)19(17-8-2-3-9-22-17)24-11-4-1-5-12-24/h2-3,6-10,13,19,25H,1,4-5,11-12H2.
What are the key properties of 5-chloro-7-[piperidin-1-yl(pyridin-2-yl)methyl]quinolin-8-ol?
5-chloro-7-[piperidin-1-yl(pyridin-2-yl)methyl]quinolin-8-ol has a molecular weight of 353.85 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[piperidin-1-yl(pyridin-2-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 3491105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).