4-[7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-yl]morpholine

C20H15ClF3N5O — CID 20874488

IUPAC4-[7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-yl]morpholine
SMILESFC(F)(F)c1cccc(-c2nnn3c2nc(N2CCOCC2)c2cc(Cl)ccc23)c1
InChIInChI=1S/C20H15ClF3N5O/c21-14-4-5-16-15(11-14)18(28-6-8-30-9-7-28)25-19-17(26-27-29(16)19)12-2-1-3-13(10-12)20(22,23)24/h1-5,10-11H,6-9H2
InChIKeyOVZIVJSBWWOMTG-UHFFFAOYSA-N
MW433.82 g/mol
LogP4.45
Rot. Bonds2

About 4-[7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-yl]morpholine

4-[7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-yl]morpholine (PubChem CID 20874488) has the molecular formula C20H15ClF3N5O and a molecular weight of 433.82 g/mol. Its IUPAC name is 4-[7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-yl]morpholine.

Molecular Properties

Compound Name4-[7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-yl]morpholine
PubChem CID20874488
Molecular FormulaC20H15ClF3N5O
Molecular Weight433.82 g/mol
Exact Mass433.09
IUPAC Name4-[7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-yl]morpholine
SMILESFC(F)(F)c1cccc(-c2nnn3c2nc(N2CCOCC2)c2cc(Cl)ccc23)c1
InChIInChI=1S/C20H15ClF3N5O/c21-14-4-5-16-15(11-14)18(28-6-8-30-9-7-28)25-19-17(26-27-29(16)19)12-2-1-3-13(10-12)20(22,23)24/h1-5,10-11H,6-9H2
InChIKeyOVZIVJSBWWOMTG-UHFFFAOYSA-N
XLogP4.45
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.82
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-yl]morpholine?
The IUPAC name of 4-[7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-yl]morpholine (CID 20874488) is 4-[7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-yl]morpholine.
What is the SMILES notation for 4-[7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-yl]morpholine?
The canonical SMILES for 4-[7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-yl]morpholine is FC(F)(F)c1cccc(-c2nnn3c2nc(N2CCOCC2)c2cc(Cl)ccc23)c1.
What is the InChIKey of 4-[7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-yl]morpholine?
The InChIKey is OVZIVJSBWWOMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N5O/c21-14-4-5-16-15(11-14)18(28-6-8-30-9-7-28)25-19-17(26-27-29(16)19)12-2-1-3-13(10-12)20(22,23)24/h1-5,10-11H,6-9H2.
What are the key properties of 4-[7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-yl]morpholine?
4-[7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-yl]morpholine has a molecular weight of 433.82 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-yl]morpholine is sourced from PubChem (CID 20874488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).