4-[[1-(2-chlorophenyl)triazol-4-yl]methoxy]-6-fluoro-2-(trifluoromethyl)quinoline

C19H11ClF4N4O — CID 168655169

IUPAC4-[[1-(2-chlorophenyl)triazol-4-yl]methoxy]-6-fluoro-2-(trifluoromethyl)quinoline
SMILESFc1ccc2nc(C(F)(F)F)cc(OCc3cn(-c4ccccc4Cl)nn3)c2c1
InChIInChI=1S/C19H11ClF4N4O/c20-14-3-1-2-4-16(14)28-9-12(26-27-28)10-29-17-8-18(19(22,23)24)25-15-6-5-11(21)7-13(15)17/h1-9H,10H2
InChIKeyDZXJXMAUJGPDRC-UHFFFAOYSA-N
MW422.77 g/mol
LogP5.21
Rot. Bonds4

About 4-[[1-(2-chlorophenyl)triazol-4-yl]methoxy]-6-fluoro-2-(trifluoromethyl)quinoline

4-[[1-(2-chlorophenyl)triazol-4-yl]methoxy]-6-fluoro-2-(trifluoromethyl)quinoline (PubChem CID 168655169) has the molecular formula C19H11ClF4N4O and a molecular weight of 422.77 g/mol. Its IUPAC name is 4-[[1-(2-chlorophenyl)triazol-4-yl]methoxy]-6-fluoro-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[[1-(2-chlorophenyl)triazol-4-yl]methoxy]-6-fluoro-2-(trifluoromethyl)quinoline
PubChem CID168655169
Molecular FormulaC19H11ClF4N4O
Molecular Weight422.77 g/mol
Exact Mass422.06
IUPAC Name4-[[1-(2-chlorophenyl)triazol-4-yl]methoxy]-6-fluoro-2-(trifluoromethyl)quinoline
SMILESFc1ccc2nc(C(F)(F)F)cc(OCc3cn(-c4ccccc4Cl)nn3)c2c1
InChIInChI=1S/C19H11ClF4N4O/c20-14-3-1-2-4-16(14)28-9-12(26-27-28)10-29-17-8-18(19(22,23)24)25-15-6-5-11(21)7-13(15)17/h1-9H,10H2
InChIKeyDZXJXMAUJGPDRC-UHFFFAOYSA-N
XLogP5.21
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.77
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-chlorophenyl)triazol-4-yl]methoxy]-6-fluoro-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-[[1-(2-chlorophenyl)triazol-4-yl]methoxy]-6-fluoro-2-(trifluoromethyl)quinoline (CID 168655169) is 4-[[1-(2-chlorophenyl)triazol-4-yl]methoxy]-6-fluoro-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[[1-(2-chlorophenyl)triazol-4-yl]methoxy]-6-fluoro-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[[1-(2-chlorophenyl)triazol-4-yl]methoxy]-6-fluoro-2-(trifluoromethyl)quinoline is Fc1ccc2nc(C(F)(F)F)cc(OCc3cn(-c4ccccc4Cl)nn3)c2c1.
What is the InChIKey of 4-[[1-(2-chlorophenyl)triazol-4-yl]methoxy]-6-fluoro-2-(trifluoromethyl)quinoline?
The InChIKey is DZXJXMAUJGPDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF4N4O/c20-14-3-1-2-4-16(14)28-9-12(26-27-28)10-29-17-8-18(19(22,23)24)25-15-6-5-11(21)7-13(15)17/h1-9H,10H2.
What are the key properties of 4-[[1-(2-chlorophenyl)triazol-4-yl]methoxy]-6-fluoro-2-(trifluoromethyl)quinoline?
4-[[1-(2-chlorophenyl)triazol-4-yl]methoxy]-6-fluoro-2-(trifluoromethyl)quinoline has a molecular weight of 422.77 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-chlorophenyl)triazol-4-yl]methoxy]-6-fluoro-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 168655169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).