4-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-7-ol

C21H20F3N3O — CID 135609782

IUPAC4-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-7-ol
SMILESCc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2cc(O)ccc12
InChIInChI=1S/C21H20F3N3O/c1-14-11-20(25-19-13-17(28)5-6-18(14)19)27-9-7-26(8-10-27)16-4-2-3-15(12-16)21(22,23)24/h2-6,11-13,28H,7-10H2,1H3
InChIKeyKSUMAPMXYQMMJV-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.59
Rot. Bonds2

About 4-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-7-ol

4-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-7-ol (PubChem CID 135609782) has the molecular formula C21H20F3N3O and a molecular weight of 387.41 g/mol. Its IUPAC name is 4-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-7-ol.

Molecular Properties

Compound Name4-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-7-ol
PubChem CID135609782
Molecular FormulaC21H20F3N3O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name4-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-7-ol
SMILESCc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2cc(O)ccc12
InChIInChI=1S/C21H20F3N3O/c1-14-11-20(25-19-13-17(28)5-6-18(14)19)27-9-7-26(8-10-27)16-4-2-3-15(12-16)21(22,23)24/h2-6,11-13,28H,7-10H2,1H3
InChIKeyKSUMAPMXYQMMJV-UHFFFAOYSA-N
XLogP4.59
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-7-ol?
The IUPAC name of 4-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-7-ol (CID 135609782) is 4-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-7-ol.
What is the SMILES notation for 4-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-7-ol?
The canonical SMILES for 4-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-7-ol is Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2cc(O)ccc12.
What is the InChIKey of 4-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-7-ol?
The InChIKey is KSUMAPMXYQMMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O/c1-14-11-20(25-19-13-17(28)5-6-18(14)19)27-9-7-26(8-10-27)16-4-2-3-15(12-16)21(22,23)24/h2-6,11-13,28H,7-10H2,1H3.
What are the key properties of 4-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-7-ol?
4-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-7-ol has a molecular weight of 387.41 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-7-ol is sourced from PubChem (CID 135609782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).