[3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-pyridinyl]methanol

C22H24FN3O2 — CID 25144311

IUPAC[3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-pyridinyl]methanol
SMILESCc1cc(OC2CCN(Cc3cccnc3CO)CC2)c2cccc(F)c2n1
InChIInChI=1S/C22H24FN3O2/c1-15-12-21(18-5-2-6-19(23)22(18)25-15)28-17-7-10-26(11-8-17)13-16-4-3-9-24-20(16)14-27/h2-6,9,12,17,27H,7-8,10-11,13-14H2,1H3
InChIKeyMWMZCYIOALZGKS-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.61
Rot. Bonds5

About [3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-pyridinyl]methanol

[3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-pyridinyl]methanol (PubChem CID 25144311) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is [3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-pyridinyl]methanol
PubChem CID25144311
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name[3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-pyridinyl]methanol
SMILESCc1cc(OC2CCN(Cc3cccnc3CO)CC2)c2cccc(F)c2n1
InChIInChI=1S/C22H24FN3O2/c1-15-12-21(18-5-2-6-19(23)22(18)25-15)28-17-7-10-26(11-8-17)13-16-4-3-9-24-20(16)14-27/h2-6,9,12,17,27H,7-8,10-11,13-14H2,1H3
InChIKeyMWMZCYIOALZGKS-UHFFFAOYSA-N
XLogP3.61
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Quinine
CID 3034034
Quinidine
CID 441074
Hydroquinidine
CID 91503
Quinine Hydrochloride
CID 91558
(-)-Dihydroquinine
CID 121515
Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-
CID 1065
Hydroquinidine hydrochloride
CID 16211709
Ethylhydrocupreine hydrochloride
CID 16219340
Quinine hydrochloride dihydrate
CID 16211283
Optochin
CID 87880
(1R)-(6-methoxyquinolin-4-yl)((2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol hydrochloride hydrate
CID 16219919
Epiquinidine
CID 94175

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-pyridinyl]methanol?
The IUPAC name of [3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-pyridinyl]methanol (CID 25144311) is [3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-pyridinyl]methanol.
What is the SMILES notation for [3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-pyridinyl]methanol?
The canonical SMILES for [3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-pyridinyl]methanol is Cc1cc(OC2CCN(Cc3cccnc3CO)CC2)c2cccc(F)c2n1.
What is the InChIKey of [3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-pyridinyl]methanol?
The InChIKey is MWMZCYIOALZGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-15-12-21(18-5-2-6-19(23)22(18)25-15)28-17-7-10-26(11-8-17)13-16-4-3-9-24-20(16)14-27/h2-6,9,12,17,27H,7-8,10-11,13-14H2,1H3.
What are the key properties of [3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-pyridinyl]methanol?
[3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-pyridinyl]methanol has a molecular weight of 381.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-pyridinyl]methanol is sourced from PubChem (CID 25144311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).