7-[piperidin-1-yl(pyridin-4-yl)methyl]quinolin-8-ol

C20H21N3O — CID 3861919

IUPAC7-[piperidin-1-yl(pyridin-4-yl)methyl]quinolin-8-ol
SMILESOc1c(C(c2ccncc2)N2CCCCC2)ccc2cccnc12
InChIInChI=1S/C20H21N3O/c24-20-17(7-6-15-5-4-10-22-18(15)20)19(16-8-11-21-12-9-16)23-13-2-1-3-14-23/h4-12,19,24H,1-3,13-14H2
InChIKeyHQZGAUZNJLVVJU-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.91
Rot. Bonds3

About 7-[piperidin-1-yl(pyridin-4-yl)methyl]quinolin-8-ol

7-[piperidin-1-yl(pyridin-4-yl)methyl]quinolin-8-ol (PubChem CID 3861919) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 7-[piperidin-1-yl(pyridin-4-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[piperidin-1-yl(pyridin-4-yl)methyl]quinolin-8-ol
PubChem CID3861919
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name7-[piperidin-1-yl(pyridin-4-yl)methyl]quinolin-8-ol
SMILESOc1c(C(c2ccncc2)N2CCCCC2)ccc2cccnc12
InChIInChI=1S/C20H21N3O/c24-20-17(7-6-15-5-4-10-22-18(15)20)19(16-8-11-21-12-9-16)23-13-2-1-3-14-23/h4-12,19,24H,1-3,13-14H2
InChIKeyHQZGAUZNJLVVJU-UHFFFAOYSA-N
XLogP3.91
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.91
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 7-[piperidin-1-yl(pyridin-4-yl)methyl]quinolin-8-ol?
The IUPAC name of 7-[piperidin-1-yl(pyridin-4-yl)methyl]quinolin-8-ol (CID 3861919) is 7-[piperidin-1-yl(pyridin-4-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[piperidin-1-yl(pyridin-4-yl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[piperidin-1-yl(pyridin-4-yl)methyl]quinolin-8-ol is Oc1c(C(c2ccncc2)N2CCCCC2)ccc2cccnc12.
What is the InChIKey of 7-[piperidin-1-yl(pyridin-4-yl)methyl]quinolin-8-ol?
The InChIKey is HQZGAUZNJLVVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-20-17(7-6-15-5-4-10-22-18(15)20)19(16-8-11-21-12-9-16)23-13-2-1-3-14-23/h4-12,19,24H,1-3,13-14H2.
What are the key properties of 7-[piperidin-1-yl(pyridin-4-yl)methyl]quinolin-8-ol?
7-[piperidin-1-yl(pyridin-4-yl)methyl]quinolin-8-ol has a molecular weight of 319.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[piperidin-1-yl(pyridin-4-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 3861919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).