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

C20H22N3O+ — CID 5092864

IUPAC7-[piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-ol
SMILESOc1c(C(c2ccccn2)[NH+]2CCCCC2)ccc2cccnc12
InChIInChI=1S/C20H21N3O/c24-20-16(10-9-15-7-6-12-22-18(15)20)19(17-8-2-3-11-21-17)23-13-4-1-5-14-23/h2-3,6-12,19,24H,1,4-5,13-14H2/p+1
InChIKeyUNSBLTBZUIGZHT-UHFFFAOYSA-O
MW320.42 g/mol
LogP2.49
Rot. Bonds3

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

7-[piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-ol (PubChem CID 5092864) has the molecular formula C20H22N3O+ and a molecular weight of 320.42 g/mol. Its IUPAC name is 7-[piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-ol
PubChem CID5092864
Molecular FormulaC20H22N3O+
Molecular Weight320.42 g/mol
Exact Mass320.18
IUPAC Name7-[piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-ol
SMILESOc1c(C(c2ccccn2)[NH+]2CCCCC2)ccc2cccnc12
InChIInChI=1S/C20H21N3O/c24-20-16(10-9-15-7-6-12-22-18(15)20)19(17-8-2-3-11-21-17)23-13-4-1-5-14-23/h2-3,6-12,19,24H,1,4-5,13-14H2/p+1
InChIKeyUNSBLTBZUIGZHT-UHFFFAOYSA-O
XLogP2.49
TPSA50.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(R)-piperidin-1-ium-1-yl(pyridin-4-yl)methyl]quinolin-8-ol
CID 7122108
7-[(R)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 6988629
7-[(R)-(3-hydroxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]quinolin-8-ol
CID 6920074
7-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-pyridin-4-ylmethyl]quinolin-8-ol
CID 6920079
(8-hydroxyquinolin-7-yl)methanediol
CID 145367917
7-[(S)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 7565070
7-[amino(phenyl)methyl]quinolin-8-ol
CID 118080370
7-[2-(4-ethoxyphenyl)-1-pyridin-2-ylethyl]quinolin-8-ol
CID 58542925
5-chloro-7-[pyridin-2-yl(pyrrolidin-1-ium-1-yl)methyl]quinolin-1-ium-8-ol
CID 4131767
5-chloro-7-[(S)-(4-ethylpiperazine-1,4-diium-1-yl)-pyridin-2-ylmethyl]quinolin-8-ol
CID 7762088
7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol
CID 28721808
7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 7453622

Frequently Asked Questions

What is the IUPAC name of 7-[piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-ol?
The IUPAC name of 7-[piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-ol (CID 5092864) is 7-[piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-ol is Oc1c(C(c2ccccn2)[NH+]2CCCCC2)ccc2cccnc12.
What is the InChIKey of 7-[piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-ol?
The InChIKey is UNSBLTBZUIGZHT-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21N3O/c24-20-16(10-9-15-7-6-12-22-18(15)20)19(17-8-2-3-11-21-17)23-13-4-1-5-14-23/h2-3,6-12,19,24H,1,4-5,13-14H2/p+1.
What are the key properties of 7-[piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-ol?
7-[piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-ol has a molecular weight of 320.42 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 5092864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).