2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol

C20H20FN3O — CID 135544636

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol
SMILESCc1cc(N2CCN(c3ccccc3F)CC2)nc2cc(O)ccc12
InChIInChI=1S/C20H20FN3O/c1-14-12-20(22-18-13-15(25)6-7-16(14)18)24-10-8-23(9-11-24)19-5-3-2-4-17(19)21/h2-7,12-13,25H,8-11H2,1H3
InChIKeyGEYRSNWQEWITKY-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.71
Rot. Bonds2

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol

2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol (PubChem CID 135544636) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol
PubChem CID135544636
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol
SMILESCc1cc(N2CCN(c3ccccc3F)CC2)nc2cc(O)ccc12
InChIInChI=1S/C20H20FN3O/c1-14-12-20(22-18-13-15(25)6-7-16(14)18)24-10-8-23(9-11-24)19-5-3-2-4-17(19)21/h2-7,12-13,25H,8-11H2,1H3
InChIKeyGEYRSNWQEWITKY-UHFFFAOYSA-N
XLogP3.71
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol (CID 135544636) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol is Cc1cc(N2CCN(c3ccccc3F)CC2)nc2cc(O)ccc12.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol?
The InChIKey is GEYRSNWQEWITKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-14-12-20(22-18-13-15(25)6-7-16(14)18)24-10-8-23(9-11-24)19-5-3-2-4-17(19)21/h2-7,12-13,25H,8-11H2,1H3.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol?
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol has a molecular weight of 337.40 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol is sourced from PubChem (CID 135544636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).