4-[6-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]morpholine

C19H16F3N3O — CID 3234904

IUPAC4-[6-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]morpholine
SMILESFC(F)(F)c1ccccc1-c1ccc2ncnc(N3CCOCC3)c2c1
InChIInChI=1S/C19H16F3N3O/c20-19(21,22)16-4-2-1-3-14(16)13-5-6-17-15(11-13)18(24-12-23-17)25-7-9-26-10-8-25/h1-6,11-12H,7-10H2
InChIKeyCJBYNHSRMIRXEQ-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.15
Rot. Bonds2

About 4-[6-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]morpholine

4-[6-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]morpholine (PubChem CID 3234904) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 4-[6-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]morpholine
PubChem CID3234904
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name4-[6-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]morpholine
SMILESFC(F)(F)c1ccccc1-c1ccc2ncnc(N3CCOCC3)c2c1
InChIInChI=1S/C19H16F3N3O/c20-19(21,22)16-4-2-1-3-14(16)13-5-6-17-15(11-13)18(24-12-23-17)25-7-9-26-10-8-25/h1-6,11-12H,7-10H2
InChIKeyCJBYNHSRMIRXEQ-UHFFFAOYSA-N
XLogP4.15
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]morpholine?
The IUPAC name of 4-[6-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]morpholine (CID 3234904) is 4-[6-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[6-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]morpholine is FC(F)(F)c1ccccc1-c1ccc2ncnc(N3CCOCC3)c2c1.
What is the InChIKey of 4-[6-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]morpholine?
The InChIKey is CJBYNHSRMIRXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c20-19(21,22)16-4-2-1-3-14(16)13-5-6-17-15(11-13)18(24-12-23-17)25-7-9-26-10-8-25/h1-6,11-12H,7-10H2.
What are the key properties of 4-[6-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]morpholine?
4-[6-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]morpholine has a molecular weight of 359.35 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]morpholine is sourced from PubChem (CID 3234904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).