7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol

C25H23FN4O — CID 28721808

IUPAC7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol
SMILESOc1c([C@H](c2ccccn2)N2CCN(c3ccc(F)cc3)CC2)ccc2cccnc12
InChIInChI=1S/C25H23FN4O/c26-19-7-9-20(10-8-19)29-14-16-30(17-15-29)24(22-5-1-2-12-27-22)21-11-6-18-4-3-13-28-23(18)25(21)31/h1-13,24,31H,14-17H2/t24-/m1/s1
InChIKeyFZCNGNCIVMTVKL-XMMPIXPASA-N
MW414.48 g/mol
LogP4.39
Rot. Bonds4

About 7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol

7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol (PubChem CID 28721808) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol
PubChem CID28721808
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol
SMILESOc1c([C@H](c2ccccn2)N2CCN(c3ccc(F)cc3)CC2)ccc2cccnc12
InChIInChI=1S/C25H23FN4O/c26-19-7-9-20(10-8-19)29-14-16-30(17-15-29)24(22-5-1-2-12-27-22)21-11-6-18-4-3-13-28-23(18)25(21)31/h1-13,24,31H,14-17H2/t24-/m1/s1
InChIKeyFZCNGNCIVMTVKL-XMMPIXPASA-N
XLogP4.39
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 4984292
5-chloro-7-[(2,4-dichlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 4220074
7-[[4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol
CID 70796170
7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol
CID 53484246
3-[[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]-2-methyl-1H-indole
CID 5182882
5-chloro-7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol
CID 4670949
7-[(4-methylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methyl]quinolin-8-ol
CID 53484245
7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol
CID 3129060
7-[(S)-pyridin-3-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol
CID 675468
7-[piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-ol
CID 5092864
7-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895950
7-[(4-fluorophenyl)-[4-[(4-fluorophenyl)-(8-hydroxyquinazolin-7-yl)methyl]piperazin-1-yl]methyl]quinazolin-8-ol
CID 162672582

Frequently Asked Questions

What is the IUPAC name of 7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol (CID 28721808) is 7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol is Oc1c([C@H](c2ccccn2)N2CCN(c3ccc(F)cc3)CC2)ccc2cccnc12.
What is the InChIKey of 7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol?
The InChIKey is FZCNGNCIVMTVKL-XMMPIXPASA-N. The full InChI is InChI=1S/C25H23FN4O/c26-19-7-9-20(10-8-19)29-14-16-30(17-15-29)24(22-5-1-2-12-27-22)21-11-6-18-4-3-13-28-23(18)25(21)31/h1-13,24,31H,14-17H2/t24-/m1/s1.
What are the key properties of 7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol?
7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol has a molecular weight of 414.48 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 28721808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).