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

C20H22N3O+ — CID 7122108

IUPAC7-[(R)-piperidin-1-ium-1-yl(pyridin-4-yl)methyl]quinolin-8-ol
SMILESOc1c([C@@H](c2ccncc2)[NH+]2CCCCC2)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/p+1/t19-/m1/s1
InChIKeyHQZGAUZNJLVVJU-LJQANCHMSA-O
MW320.42 g/mol
LogP2.49
Rot. Bonds3

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

7-[(R)-piperidin-1-ium-1-yl(pyridin-4-yl)methyl]quinolin-8-ol (PubChem CID 7122108) has the molecular formula C20H22N3O+ and a molecular weight of 320.42 g/mol. Its IUPAC name is 7-[(R)-piperidin-1-ium-1-yl(pyridin-4-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(R)-piperidin-1-ium-1-yl(pyridin-4-yl)methyl]quinolin-8-ol
PubChem CID7122108
Molecular FormulaC20H22N3O+
Molecular Weight320.42 g/mol
Exact Mass320.18
IUPAC Name7-[(R)-piperidin-1-ium-1-yl(pyridin-4-yl)methyl]quinolin-8-ol
SMILESOc1c([C@@H](c2ccncc2)[NH+]2CCCCC2)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/p+1/t19-/m1/s1
InChIKeyHQZGAUZNJLVVJU-LJQANCHMSA-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'}

Analyze 7-[(R)-piperidin-1-ium-1-yl(pyridin-4-yl)methyl]quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-pyridin-4-ylmethyl]quinolin-8-ol
CID 6920079
7-[(R)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 6988629
7-[piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-ol
CID 5092864
7-[(R)-(3-hydroxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]quinolin-8-ol
CID 6920074
7-[(S)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 7565070
(8-hydroxyquinolin-7-yl)methanediol
CID 145367917
7-[2-(6-methyl-2-pyridinyl)-1-pyridin-4-ylethyl]quinolin-8-ol
CID 58543223
7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol
CID 19233022
7-[amino(phenyl)methyl]quinolin-8-ol
CID 118080370
7-[(S)-pyridin-3-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol
CID 675468
7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol
CID 16644263
N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]cyclohexanecarboxamide
CID 2920645

Frequently Asked Questions

What is the IUPAC name of 7-[(R)-piperidin-1-ium-1-yl(pyridin-4-yl)methyl]quinolin-8-ol?
The IUPAC name of 7-[(R)-piperidin-1-ium-1-yl(pyridin-4-yl)methyl]quinolin-8-ol (CID 7122108) is 7-[(R)-piperidin-1-ium-1-yl(pyridin-4-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(R)-piperidin-1-ium-1-yl(pyridin-4-yl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(R)-piperidin-1-ium-1-yl(pyridin-4-yl)methyl]quinolin-8-ol is Oc1c([C@@H](c2ccncc2)[NH+]2CCCCC2)ccc2cccnc12.
What is the InChIKey of 7-[(R)-piperidin-1-ium-1-yl(pyridin-4-yl)methyl]quinolin-8-ol?
The InChIKey is HQZGAUZNJLVVJU-LJQANCHMSA-O. 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/p+1/t19-/m1/s1.
What are the key properties of 7-[(R)-piperidin-1-ium-1-yl(pyridin-4-yl)methyl]quinolin-8-ol?
7-[(R)-piperidin-1-ium-1-yl(pyridin-4-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-[(R)-piperidin-1-ium-1-yl(pyridin-4-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 7122108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).