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

C24H18ClF3N2O — CID 58543119

IUPAC7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
SMILESCc1cc(CC(c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)ncc1Cl
InChIInChI=1S/C24H18ClF3N2O/c1-14-11-18(30-13-21(14)25)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/h2-11,13,20,31H,12H2,1H3
InChIKeyPULUHEJTXAGWHI-UHFFFAOYSA-N
MW442.87 g/mol
LogP6.69
Rot. Bonds4

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

7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol (PubChem CID 58543119) has the molecular formula C24H18ClF3N2O and a molecular weight of 442.87 g/mol. Its IUPAC name is 7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
PubChem CID58543119
Molecular FormulaC24H18ClF3N2O
Molecular Weight442.87 g/mol
Exact Mass442.11
IUPAC Name7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
SMILESCc1cc(CC(c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)ncc1Cl
InChIInChI=1S/C24H18ClF3N2O/c1-14-11-18(30-13-21(14)25)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/h2-11,13,20,31H,12H2,1H3
InChIKeyPULUHEJTXAGWHI-UHFFFAOYSA-N
XLogP6.69
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.87
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The IUPAC name of 7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol (CID 58543119) is 7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol.
What is the SMILES notation for 7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The canonical SMILES for 7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol is Cc1cc(CC(c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)ncc1Cl.
What is the InChIKey of 7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The InChIKey is PULUHEJTXAGWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N2O/c1-14-11-18(30-13-21(14)25)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/h2-11,13,20,31H,12H2,1H3.
What are the key properties of 7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol has a molecular weight of 442.87 g/mol, XLogP of 6.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol is sourced from PubChem (CID 58543119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).