7-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]quinolin-8-ol

C22H24FN3O2 — CID 4984292

IUPAC7-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]quinolin-8-ol
SMILESOCCN1CCN(C(c2ccc(F)cc2)c2ccc3cccnc3c2O)CC1
InChIInChI=1S/C22H24FN3O2/c23-18-6-3-17(4-7-18)21(26-12-10-25(11-13-26)14-15-27)19-8-5-16-2-1-9-24-20(16)22(19)28/h1-9,21,27-28H,10-15H2
InChIKeyWGPXCYGLFNPZSE-UHFFFAOYSA-N
MW381.45 g/mol
LogP2.78
Rot. Bonds5

About 7-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]quinolin-8-ol

7-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]quinolin-8-ol (PubChem CID 4984292) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]quinolin-8-ol
PubChem CID4984292
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name7-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]quinolin-8-ol
SMILESOCCN1CCN(C(c2ccc(F)cc2)c2ccc3cccnc3c2O)CC1
InChIInChI=1S/C22H24FN3O2/c23-18-6-3-17(4-7-18)21(26-12-10-25(11-13-26)14-15-27)19-8-5-16-2-1-9-24-20(16)22(19)28/h1-9,21,27-28H,10-15H2
InChIKeyWGPXCYGLFNPZSE-UHFFFAOYSA-N
XLogP2.78
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[(R)-(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 7122140
7-[(4-fluorophenyl)-[4-[(4-fluorophenyl)-(8-hydroxyquinazolin-7-yl)methyl]piperazin-1-yl]methyl]quinazolin-8-ol
CID 162672582
7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol
CID 28721808
7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol
CID 53484246
7-[(S)-pyridin-3-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol
CID 675468
7-[(4-methylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methyl]quinolin-8-ol
CID 53484245
7-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895950
N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872181
5-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16807470
2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid
CID 82345138
7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol
CID 3129060
7-[(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]-6-methoxyquinoline
CID 135260084

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]quinolin-8-ol?
The IUPAC name of 7-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]quinolin-8-ol (CID 4984292) is 7-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]quinolin-8-ol is OCCN1CCN(C(c2ccc(F)cc2)c2ccc3cccnc3c2O)CC1.
What is the InChIKey of 7-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]quinolin-8-ol?
The InChIKey is WGPXCYGLFNPZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-18-6-3-17(4-7-18)21(26-12-10-25(11-13-26)14-15-27)19-8-5-16-2-1-9-24-20(16)22(19)28/h1-9,21,27-28H,10-15H2.
What are the key properties of 7-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]quinolin-8-ol?
7-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]quinolin-8-ol has a molecular weight of 381.45 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]quinolin-8-ol is sourced from PubChem (CID 4984292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).