7-[2-(6-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol

C24H19F3N2O — CID 58543011

IUPAC7-[2-(6-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
SMILESCc1cccc(CC(c2cccc(C(F)(F)F)c2)c2ccc3cccnc3c2O)n1
InChIInChI=1S/C24H19F3N2O/c1-15-5-2-9-19(29-15)14-21(17-6-3-8-18(13-17)24(25,26)27)20-11-10-16-7-4-12-28-22(16)23(20)30/h2-13,21,30H,14H2,1H3
InChIKeyRNBUTUICOTXMAR-UHFFFAOYSA-N
MW408.42 g/mol
LogP6.04
Rot. Bonds4

About 7-[2-(6-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol

7-[2-(6-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol (PubChem CID 58543011) has the molecular formula C24H19F3N2O and a molecular weight of 408.42 g/mol. Its IUPAC name is 7-[2-(6-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[2-(6-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
PubChem CID58543011
Molecular FormulaC24H19F3N2O
Molecular Weight408.42 g/mol
Exact Mass408.14
IUPAC Name7-[2-(6-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
SMILESCc1cccc(CC(c2cccc(C(F)(F)F)c2)c2ccc3cccnc3c2O)n1
InChIInChI=1S/C24H19F3N2O/c1-15-5-2-9-19(29-15)14-21(17-6-3-8-18(13-17)24(25,26)27)20-11-10-16-7-4-12-28-22(16)23(20)30/h2-13,21,30H,14H2,1H3
InChIKeyRNBUTUICOTXMAR-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

Hydroxyquinoline sulfate
CID 517000
5-(1-Piperidinylmethyl)-8-quinolinol
CID 279619
7-(Piperidin-1-ylmethyl)quinolin-8-ol
CID 245742
N-((8-hydroxyquinolin-7-yl)(4-isopropylphenyl)methyl)acetamide
CID 2921404
N-[(8-Hydroxy-quinolin-7-yl)-(4-isopropyl-phenyl)-methyl]-butyramide
CID 3136125
4-Methyl-8-hydroxyquinoline
CID 345169
Hla-20
CID 6918819
5,7-Dimethyl-8-quinolinol
CID 762732
7-(Anilino(phenyl)methyl)-2-methyl-8-quinolinol
CID 248986
7-((2-Fluorophenyl)(4-methylpyridin-2-ylamino)methyl)quinolin-8-ol
CID 3478212
2-Methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 4999481
7-[(4-Ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 3384730

Frequently Asked Questions

What is the IUPAC name of 7-[2-(6-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The IUPAC name of 7-[2-(6-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol (CID 58543011) is 7-[2-(6-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol.
What is the SMILES notation for 7-[2-(6-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The canonical SMILES for 7-[2-(6-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol is Cc1cccc(CC(c2cccc(C(F)(F)F)c2)c2ccc3cccnc3c2O)n1.
What is the InChIKey of 7-[2-(6-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The InChIKey is RNBUTUICOTXMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O/c1-15-5-2-9-19(29-15)14-21(17-6-3-8-18(13-17)24(25,26)27)20-11-10-16-7-4-12-28-22(16)23(20)30/h2-13,21,30H,14H2,1H3.
What are the key properties of 7-[2-(6-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
7-[2-(6-methyl-2-pyridinyl)-1-[3-(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-(6-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol is sourced from PubChem (CID 58543011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).