2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethyl)quinoline

C20H17F4NO — CID 10384088

IUPAC2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethyl)quinoline
SMILESCC(C)(C)Oc1cc(-c2ccccc2F)nc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C20H17F4NO/c1-19(2,3)26-18-11-17(13-6-4-5-7-15(13)21)25-16-10-12(20(22,23)24)8-9-14(16)18/h4-11H,1-3H3
InChIKeyGUPXUJRDXGHYDH-UHFFFAOYSA-N
MW363.35 g/mol
LogP6.24
Rot. Bonds2

About 2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethyl)quinoline

2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethyl)quinoline (PubChem CID 10384088) has the molecular formula C20H17F4NO and a molecular weight of 363.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethyl)quinoline
PubChem CID10384088
Molecular FormulaC20H17F4NO
Molecular Weight363.35 g/mol
Exact Mass363.12
IUPAC Name2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethyl)quinoline
SMILESCC(C)(C)Oc1cc(-c2ccccc2F)nc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C20H17F4NO/c1-19(2,3)26-18-11-17(13-6-4-5-7-15(13)21)25-16-10-12(20(22,23)24)8-9-14(16)18/h4-11H,1-3H3
InChIKeyGUPXUJRDXGHYDH-UHFFFAOYSA-N
XLogP6.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.35
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethyl)quinoline?
The IUPAC name of 2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethyl)quinoline (CID 10384088) is 2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethyl)quinoline?
The canonical SMILES for 2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethyl)quinoline is CC(C)(C)Oc1cc(-c2ccccc2F)nc2cc(C(F)(F)F)ccc12.
What is the InChIKey of 2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethyl)quinoline?
The InChIKey is GUPXUJRDXGHYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4NO/c1-19(2,3)26-18-11-17(13-6-4-5-7-15(13)21)25-16-10-12(20(22,23)24)8-9-14(16)18/h4-11H,1-3H3.
What are the key properties of 2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethyl)quinoline?
2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethyl)quinoline has a molecular weight of 363.35 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethyl)quinoline is sourced from PubChem (CID 10384088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).