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

C19H18ClN3O — CID 4131766

IUPAC5-chloro-7-[pyridin-2-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol
SMILESOc1c(C(c2ccccn2)N2CCCC2)cc(Cl)c2cccnc12
InChIInChI=1S/C19H18ClN3O/c20-15-12-14(19(24)17-13(15)6-5-9-22-17)18(23-10-3-4-11-23)16-7-1-2-8-21-16/h1-2,5-9,12,18,24H,3-4,10-11H2
InChIKeyQLPZJTVSRZEZHY-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.17
Rot. Bonds3

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

5-chloro-7-[pyridin-2-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol (PubChem CID 4131766) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 5-chloro-7-[pyridin-2-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-[pyridin-2-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol
PubChem CID4131766
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name5-chloro-7-[pyridin-2-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol
SMILESOc1c(C(c2ccccn2)N2CCCC2)cc(Cl)c2cccnc12
InChIInChI=1S/C19H18ClN3O/c20-15-12-14(19(24)17-13(15)6-5-9-22-17)18(23-10-3-4-11-23)16-7-1-2-8-21-16/h1-2,5-9,12,18,24H,3-4,10-11H2
InChIKeyQLPZJTVSRZEZHY-UHFFFAOYSA-N
XLogP4.17
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.17
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-[pyridin-2-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol?
The IUPAC name of 5-chloro-7-[pyridin-2-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol (CID 4131766) is 5-chloro-7-[pyridin-2-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-[pyridin-2-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol?
The canonical SMILES for 5-chloro-7-[pyridin-2-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol is Oc1c(C(c2ccccn2)N2CCCC2)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-[pyridin-2-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol?
The InChIKey is QLPZJTVSRZEZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-15-12-14(19(24)17-13(15)6-5-9-22-17)18(23-10-3-4-11-23)16-7-1-2-8-21-16/h1-2,5-9,12,18,24H,3-4,10-11H2.
What are the key properties of 5-chloro-7-[pyridin-2-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol?
5-chloro-7-[pyridin-2-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol has a molecular weight of 339.83 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[pyridin-2-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 4131766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).