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

C20H20FN3O — CID 135476889

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol
SMILESCc1cc(N2CCN(c3ccc(F)cc3)CC2)nc2cc(O)ccc12
InChIInChI=1S/C20H20FN3O/c1-14-12-20(22-19-13-17(25)6-7-18(14)19)24-10-8-23(9-11-24)16-4-2-15(21)3-5-16/h2-7,12-13,25H,8-11H2,1H3
InChIKeyJXDTUVCWVHPEIQ-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.71
Rot. Bonds2

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

2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol (PubChem CID 135476889) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol
PubChem CID135476889
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol
SMILESCc1cc(N2CCN(c3ccc(F)cc3)CC2)nc2cc(O)ccc12
InChIInChI=1S/C20H20FN3O/c1-14-12-20(22-19-13-17(25)6-7-18(14)19)24-10-8-23(9-11-24)16-4-2-15(21)3-5-16/h2-7,12-13,25H,8-11H2,1H3
InChIKeyJXDTUVCWVHPEIQ-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-(4-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol (CID 135476889) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol is Cc1cc(N2CCN(c3ccc(F)cc3)CC2)nc2cc(O)ccc12.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol?
The InChIKey is JXDTUVCWVHPEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-14-12-20(22-19-13-17(25)6-7-18(14)19)24-10-8-23(9-11-24)16-4-2-15(21)3-5-16/h2-7,12-13,25H,8-11H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol?
2-[4-(4-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-(4-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol is sourced from PubChem (CID 135476889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).