3-[4-[6-hydroxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2-(trifluoromethyl)quinolin-6-ol

C26H14F6N2O2 — CID 100950760

IUPAC3-[4-[6-hydroxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2-(trifluoromethyl)quinolin-6-ol
SMILESOc1ccc2nc(C(F)(F)F)c(-c3ccc(-c4cc5cc(O)ccc5nc4C(F)(F)F)cc3)cc2c1
InChIInChI=1S/C26H14F6N2O2/c27-25(28,29)23-19(11-15-9-17(35)5-7-21(15)33-23)13-1-2-14(4-3-13)20-12-16-10-18(36)6-8-22(16)34-24(20)26(30,31)32/h1-12,35-36H
InChIKeyMOSOEAJRDVQYLX-UHFFFAOYSA-N
MW500.40 g/mol
LogP7.57
Rot. Bonds2

About 3-[4-[6-hydroxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2-(trifluoromethyl)quinolin-6-ol

3-[4-[6-hydroxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2-(trifluoromethyl)quinolin-6-ol (PubChem CID 100950760) has the molecular formula C26H14F6N2O2 and a molecular weight of 500.40 g/mol. Its IUPAC name is 3-[4-[6-hydroxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2-(trifluoromethyl)quinolin-6-ol.

Molecular Properties

Compound Name3-[4-[6-hydroxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2-(trifluoromethyl)quinolin-6-ol
PubChem CID100950760
Molecular FormulaC26H14F6N2O2
Molecular Weight500.40 g/mol
Exact Mass500.10
IUPAC Name3-[4-[6-hydroxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2-(trifluoromethyl)quinolin-6-ol
SMILESOc1ccc2nc(C(F)(F)F)c(-c3ccc(-c4cc5cc(O)ccc5nc4C(F)(F)F)cc3)cc2c1
InChIInChI=1S/C26H14F6N2O2/c27-25(28,29)23-19(11-15-9-17(35)5-7-21(15)33-23)13-1-2-14(4-3-13)20-12-16-10-18(36)6-8-22(16)34-24(20)26(30,31)32/h1-12,35-36H
InChIKeyMOSOEAJRDVQYLX-UHFFFAOYSA-N
XLogP7.57
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.40
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-iodo-3-(trifluoromethyl)quinoxalin-6-ol
CID 148988087
2,3-diphenylquinolin-6-ol
CID 53381619
3-methoxy-4-methyl-2-(trifluoromethyl)quinolin-6-ol
CID 123398426
2,3-diiodoquinolin-6-ol
CID 174698607
4-[4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol
CID 163240753
6-[4-hydroxy-3-(trifluoromethyl)phenyl]naphthalen-2-ol
CID 122191867
4-[4-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzene-1,3-diol
CID 137183407
4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol
CID 174480072
4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol
CID 136862136
2-(trifluoromethyl)quinolin-7-ol
CID 135463587
2-(difluoromethyl)quinolin-6-ol
CID 118843194
3-amino-2-chloroquinolin-6-ol
CID 115020074

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-hydroxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2-(trifluoromethyl)quinolin-6-ol?
The IUPAC name of 3-[4-[6-hydroxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2-(trifluoromethyl)quinolin-6-ol (CID 100950760) is 3-[4-[6-hydroxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2-(trifluoromethyl)quinolin-6-ol.
What is the SMILES notation for 3-[4-[6-hydroxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2-(trifluoromethyl)quinolin-6-ol?
The canonical SMILES for 3-[4-[6-hydroxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2-(trifluoromethyl)quinolin-6-ol is Oc1ccc2nc(C(F)(F)F)c(-c3ccc(-c4cc5cc(O)ccc5nc4C(F)(F)F)cc3)cc2c1.
What is the InChIKey of 3-[4-[6-hydroxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2-(trifluoromethyl)quinolin-6-ol?
The InChIKey is MOSOEAJRDVQYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F6N2O2/c27-25(28,29)23-19(11-15-9-17(35)5-7-21(15)33-23)13-1-2-14(4-3-13)20-12-16-10-18(36)6-8-22(16)34-24(20)26(30,31)32/h1-12,35-36H.
What are the key properties of 3-[4-[6-hydroxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2-(trifluoromethyl)quinolin-6-ol?
3-[4-[6-hydroxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2-(trifluoromethyl)quinolin-6-ol has a molecular weight of 500.40 g/mol, XLogP of 7.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-hydroxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2-(trifluoromethyl)quinolin-6-ol is sourced from PubChem (CID 100950760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).