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

C24H19F3N2O — CID 58542726

IUPAC7-[2-(4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
SMILESCc1ccnc(CC(c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C24H19F3N2O/c1-15-10-12-28-19(13-15)14-21(16-4-7-18(8-5-16)24(25,26)27)20-9-6-17-3-2-11-29-22(17)23(20)30/h2-13,21,30H,14H2,1H3
InChIKeyUXECCPSMARKUHI-UHFFFAOYSA-N
MW408.42 g/mol
LogP6.04
Rot. Bonds4

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

7-[2-(4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol (PubChem CID 58542726) has the molecular formula C24H19F3N2O and a molecular weight of 408.42 g/mol. Its IUPAC name is 7-[2-(4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[2-(4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
PubChem CID58542726
Molecular FormulaC24H19F3N2O
Molecular Weight408.42 g/mol
Exact Mass408.14
IUPAC Name7-[2-(4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
SMILESCc1ccnc(CC(c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C24H19F3N2O/c1-15-10-12-28-19(13-15)14-21(16-4-7-18(8-5-16)24(25,26)27)20-9-6-17-3-2-11-29-22(17)23(20)30/h2-13,21,30H,14H2,1H3
InChIKeyUXECCPSMARKUHI-UHFFFAOYSA-N
XLogP6.04
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.42
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
CID 58543119
7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
CID 58542907
7-[1-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinolin-8-ol
CID 58542713
7-[2-(4-chloro-2-pyridinyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
CID 58543180
7-[(S)-[(4-methylpyridin-1-ium-2-yl)amino]-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 7025586
7-[2-(6-methyl-2-pyridinyl)-1-pyridin-4-ylethyl]quinolin-8-ol
CID 58543223
7-[1-(3-fluorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol
CID 58542815
7-[(R)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 6988629
7-[1-(3,5-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol
CID 58543020
7-[(R)-(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 7122140
7-[1-(3,5-dichlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol
CID 58543199
7-[1-(2,3-difluoro-4-methylphenyl)-2-(4-methyl-2-pyridinyl)ethyl]-2-methylquinolin-8-ol
CID 58542765

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The IUPAC name of 7-[2-(4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol (CID 58542726) is 7-[2-(4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol.
What is the SMILES notation for 7-[2-(4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The canonical SMILES for 7-[2-(4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol is Cc1ccnc(CC(c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[2-(4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The InChIKey is UXECCPSMARKUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O/c1-15-10-12-28-19(13-15)14-21(16-4-7-18(8-5-16)24(25,26)27)20-9-6-17-3-2-11-29-22(17)23(20)30/h2-13,21,30H,14H2,1H3.
What are the key properties of 7-[2-(4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
7-[2-(4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol has a molecular weight of 408.42 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol is sourced from PubChem (CID 58542726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).