4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline

C17H12F3NO — CID 151866789

IUPAC4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline
SMILESCc1ccnc2cccc(Oc3cccc(C(F)(F)F)c3)c12
InChIInChI=1S/C17H12F3NO/c1-11-8-9-21-14-6-3-7-15(16(11)14)22-13-5-2-4-12(10-13)17(18,19)20/h2-10H,1H3
InChIKeySLVPIZYCLZKJFW-UHFFFAOYSA-N
MW303.28 g/mol
LogP5.35
Rot. Bonds2

About 4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline

4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline (PubChem CID 151866789) has the molecular formula C17H12F3NO and a molecular weight of 303.28 g/mol. Its IUPAC name is 4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline.

Molecular Properties

Compound Name4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline
PubChem CID151866789
Molecular FormulaC17H12F3NO
Molecular Weight303.28 g/mol
Exact Mass303.09
IUPAC Name4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline
SMILESCc1ccnc2cccc(Oc3cccc(C(F)(F)F)c3)c12
InChIInChI=1S/C17H12F3NO/c1-11-8-9-21-14-6-3-7-15(16(11)14)22-13-5-2-4-12(10-13)17(18,19)20/h2-10H,1H3
InChIKeySLVPIZYCLZKJFW-UHFFFAOYSA-N
XLogP5.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.28
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-4-[3-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 155344405
5,6-dimethyl-1-[3-(trifluoromethyl)phenoxy]isoquinoline
CID 71178034
3-[6-(trifluoromethyl)quinolin-4-yl]oxyaniline
CID 54773336
7-ethenyl-5-[3-(trifluoromethyl)phenoxy]quinoline
CID 155344351
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
6-[4-[3-(trifluoromethyl)phenoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrimidin-2-one
CID 166135780
2,6-dimethoxy-4-[[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]methyl]phenol
CID 118707112
methyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate
CID 162357650
4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol
CID 54042030
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 3700252
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404
6-[4-[3-(trifluoromethyl)phenoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrimidin-2-one;hydrochloride
CID 166135788

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline?
The IUPAC name of 4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline (CID 151866789) is 4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline.
What is the SMILES notation for 4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline?
The canonical SMILES for 4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline is Cc1ccnc2cccc(Oc3cccc(C(F)(F)F)c3)c12.
What is the InChIKey of 4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline?
The InChIKey is SLVPIZYCLZKJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO/c1-11-8-9-21-14-6-3-7-15(16(11)14)22-13-5-2-4-12(10-13)17(18,19)20/h2-10H,1H3.
What are the key properties of 4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline?
4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline has a molecular weight of 303.28 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline is sourced from PubChem (CID 151866789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).