7-[(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]quinolin-8-ol

C21H22FN3O — CID 3637025

IUPAC7-[(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESCN1CCN(C(c2ccc(F)cc2)c2ccc3cccnc3c2O)CC1
InChIInChI=1S/C21H22FN3O/c1-24-11-13-25(14-12-24)20(16-4-7-17(22)8-5-16)18-9-6-15-3-2-10-23-19(15)21(18)26/h2-10,20,26H,11-14H2,1H3
InChIKeyMIGHUSJWTOALIP-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.42
Rot. Bonds3

About 7-[(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]quinolin-8-ol

7-[(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]quinolin-8-ol (PubChem CID 3637025) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]quinolin-8-ol
PubChem CID3637025
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name7-[(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESCN1CCN(C(c2ccc(F)cc2)c2ccc3cccnc3c2O)CC1
InChIInChI=1S/C21H22FN3O/c1-24-11-13-25(14-12-24)20(16-4-7-17(22)8-5-16)18-9-6-15-3-2-10-23-19(15)21(18)26/h2-10,20,26H,11-14H2,1H3
InChIKeyMIGHUSJWTOALIP-UHFFFAOYSA-N
XLogP3.42
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]quinolin-8-ol?
The IUPAC name of 7-[(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]quinolin-8-ol (CID 3637025) is 7-[(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]quinolin-8-ol is CN1CCN(C(c2ccc(F)cc2)c2ccc3cccnc3c2O)CC1.
What is the InChIKey of 7-[(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]quinolin-8-ol?
The InChIKey is MIGHUSJWTOALIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-24-11-13-25(14-12-24)20(16-4-7-17(22)8-5-16)18-9-6-15-3-2-10-23-19(15)21(18)26/h2-10,20,26H,11-14H2,1H3.
What are the key properties of 7-[(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]quinolin-8-ol?
7-[(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]quinolin-8-ol has a molecular weight of 351.43 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 3637025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).