2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline

C18H14F3NO — CID 67980760

IUPAC2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline
SMILESCc1ccc2cccc(OCc3ccc(C(F)(F)F)cc3)c2n1
InChIInChI=1S/C18H14F3NO/c1-12-5-8-14-3-2-4-16(17(14)22-12)23-11-13-6-9-15(10-7-13)18(19,20)21/h2-10H,11H2,1H3
InChIKeyJFXGYWFFRSIFAK-UHFFFAOYSA-N
MW317.31 g/mol
LogP5.14
Rot. Bonds3

About 2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline

2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline (PubChem CID 67980760) has the molecular formula C18H14F3NO and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline.

Molecular Properties

Compound Name2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline
PubChem CID67980760
Molecular FormulaC18H14F3NO
Molecular Weight317.31 g/mol
Exact Mass317.10
IUPAC Name2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline
SMILESCc1ccc2cccc(OCc3ccc(C(F)(F)F)cc3)c2n1
InChIInChI=1S/C18H14F3NO/c1-12-5-8-14-3-2-4-16(17(14)22-12)23-11-13-6-9-15(10-7-13)18(19,20)21/h2-10H,11H2,1H3
InChIKeyJFXGYWFFRSIFAK-UHFFFAOYSA-N
XLogP5.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.31
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]methanamine
CID 63887490
8-[(6-ethyl-2-pyridinyl)methoxy]-2-methylquinoline
CID 163741532
8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline
CID 62886311
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400
[4-[(2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]hydrazine
CID 62464151
2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene
CID 177493638
[3-[(2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]methanamine
CID 62893676
8-[(5-bromothiophen-2-yl)methoxy]-2-methylquinoline
CID 63457720
3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline
CID 43352151
8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline
CID 80656920
8-[(5-bromo-2-pyridinyl)methoxy]-2-methylquinoline
CID 104809806
(2R)-1-(2-methylquinolin-8-yl)oxypropan-2-ol
CID 70983446

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline?
The IUPAC name of 2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline (CID 67980760) is 2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline.
What is the SMILES notation for 2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline?
The canonical SMILES for 2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline is Cc1ccc2cccc(OCc3ccc(C(F)(F)F)cc3)c2n1.
What is the InChIKey of 2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline?
The InChIKey is JFXGYWFFRSIFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO/c1-12-5-8-14-3-2-4-16(17(14)22-12)23-11-13-6-9-15(10-7-13)18(19,20)21/h2-10H,11H2,1H3.
What are the key properties of 2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline?
2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline has a molecular weight of 317.31 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline is sourced from PubChem (CID 67980760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).