7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol

C48H35Cl2F7N4O2 — CID 158582811

IUPAC7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
SMILESCc1cc(Cl)cnc1CC(c1ccc(C(F)(F)F)cc1)c1ccc2cccnc2c1O.Cc1cc(Cl)cnc1CC(c1ccc(C(F)(F)F)cc1F)c1ccc2cccnc2c1O
InChIInChI=1S/C24H17ClF4N2O.C24H18ClF3N2O/c1-13-9-16(25)12-31-21(13)11-19(17-7-5-15(10-20(17)26)24(27,28)29)18-6-4-14-3-2-8-30-22(14)23(18)32;1-14-11-18(25)13-30-21(14)12-20(15-4-7-17(8-5-15)24(26,27)28)19-9-6-16-3-2-10-29-22(16)23(19)31/h2-10,12,19,32H,11H2,1H3;2-11,13,20,31H,12H2,1H3
InChIKeyHTLPGUFVJNUWDE-UHFFFAOYSA-N
MW903.73 g/mol
LogP13.52
Rot. Bonds8

About 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol

7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol (PubChem CID 158582811) has the molecular formula C48H35Cl2F7N4O2 and a molecular weight of 903.73 g/mol. Its IUPAC name is 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
PubChem CID158582811
Molecular FormulaC48H35Cl2F7N4O2
Molecular Weight903.73 g/mol
Exact Mass902.20
IUPAC Name7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
SMILESCc1cc(Cl)cnc1CC(c1ccc(C(F)(F)F)cc1)c1ccc2cccnc2c1O.Cc1cc(Cl)cnc1CC(c1ccc(C(F)(F)F)cc1F)c1ccc2cccnc2c1O
InChIInChI=1S/C24H17ClF4N2O.C24H18ClF3N2O/c1-13-9-16(25)12-31-21(13)11-19(17-7-5-15(10-20(17)26)24(27,28)29)18-6-4-14-3-2-8-30-22(14)23(18)32;1-14-11-18(25)13-30-21(14)12-20(15-4-7-17(8-5-15)24(26,27)28)19-9-6-16-3-2-10-29-22(16)23(19)31/h2-10,12,19,32H,11H2,1H3;2-11,13,20,31H,12H2,1H3
InChIKeyHTLPGUFVJNUWDE-UHFFFAOYSA-N
XLogP13.52
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.73
LogP ≤ 513.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The IUPAC name of 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol (CID 158582811) is 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol.
What is the SMILES notation for 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The canonical SMILES for 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol is Cc1cc(Cl)cnc1CC(c1ccc(C(F)(F)F)cc1)c1ccc2cccnc2c1O.Cc1cc(Cl)cnc1CC(c1ccc(C(F)(F)F)cc1F)c1ccc2cccnc2c1O.
What is the InChIKey of 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The InChIKey is HTLPGUFVJNUWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF4N2O.C24H18ClF3N2O/c1-13-9-16(25)12-31-21(13)11-19(17-7-5-15(10-20(17)26)24(27,28)29)18-6-4-14-3-2-8-30-22(14)23(18)32;1-14-11-18(25)13-30-21(14)12-20(15-4-7-17(8-5-15)24(26,27)28)19-9-6-16-3-2-10-29-22(16)23(19)31/h2-10,12,19,32H,11H2,1H3;2-11,13,20,31H,12H2,1H3.
What are the key properties of 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol has a molecular weight of 903.73 g/mol, XLogP of 13.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol is sourced from PubChem (CID 158582811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).