2-phenyl-4-[1-[4-(trifluoromethyl)phenyl]ethenoxy]quinazoline

C23H15F3N2O — CID 132573440

IUPAC2-phenyl-4-[1-[4-(trifluoromethyl)phenyl]ethenoxy]quinazoline
SMILESC=C(Oc1nc(-c2ccccc2)nc2ccccc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H15F3N2O/c1-15(16-11-13-18(14-12-16)23(24,25)26)29-22-19-9-5-6-10-20(19)27-21(28-22)17-7-3-2-4-8-17/h2-14H,1H2
InChIKeyZYBIGGCUCKSMPA-UHFFFAOYSA-N
MW392.38 g/mol
LogP6.37
Rot. Bonds4

About 2-phenyl-4-[1-[4-(trifluoromethyl)phenyl]ethenoxy]quinazoline

2-phenyl-4-[1-[4-(trifluoromethyl)phenyl]ethenoxy]quinazoline (PubChem CID 132573440) has the molecular formula C23H15F3N2O and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-phenyl-4-[1-[4-(trifluoromethyl)phenyl]ethenoxy]quinazoline.

Molecular Properties

Compound Name2-phenyl-4-[1-[4-(trifluoromethyl)phenyl]ethenoxy]quinazoline
PubChem CID132573440
Molecular FormulaC23H15F3N2O
Molecular Weight392.38 g/mol
Exact Mass392.11
IUPAC Name2-phenyl-4-[1-[4-(trifluoromethyl)phenyl]ethenoxy]quinazoline
SMILESC=C(Oc1nc(-c2ccccc2)nc2ccccc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H15F3N2O/c1-15(16-11-13-18(14-12-16)23(24,25)26)29-22-19-9-5-6-10-20(19)27-21(28-22)17-7-3-2-4-8-17/h2-14H,1H2
InChIKeyZYBIGGCUCKSMPA-UHFFFAOYSA-N
XLogP6.37
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.38
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-fluorophenyl)ethenoxy]-2-phenylquinazoline
CID 132573431
4-[1-(4-chlorophenyl)ethenoxy]-2-phenylquinazoline
CID 132573432
4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline
CID 25129008
9-[4-(trifluoromethyl)phenyl]acridine
CID 134960902
1,1,1-trifluoro-N-[4-(2-phenylquinazolin-4-yl)oxyphenyl]methanesulfonamide
CID 139753839
1-(1-phenylethenyl)-4-(trifluoromethyl)benzene
CID 10634268
2-[3-(trifluoromethyl)phenyl]quinazoline-4-carboxylic acid
CID 90410657
2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 135121646
2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylquinazoline
CID 155568122
2-(4-tert-butylphenyl)quinazolin-4-amine
CID 23762885
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 59274673
CID 101352816
CID 101352816

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[1-[4-(trifluoromethyl)phenyl]ethenoxy]quinazoline?
The IUPAC name of 2-phenyl-4-[1-[4-(trifluoromethyl)phenyl]ethenoxy]quinazoline (CID 132573440) is 2-phenyl-4-[1-[4-(trifluoromethyl)phenyl]ethenoxy]quinazoline.
What is the SMILES notation for 2-phenyl-4-[1-[4-(trifluoromethyl)phenyl]ethenoxy]quinazoline?
The canonical SMILES for 2-phenyl-4-[1-[4-(trifluoromethyl)phenyl]ethenoxy]quinazoline is C=C(Oc1nc(-c2ccccc2)nc2ccccc12)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-phenyl-4-[1-[4-(trifluoromethyl)phenyl]ethenoxy]quinazoline?
The InChIKey is ZYBIGGCUCKSMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N2O/c1-15(16-11-13-18(14-12-16)23(24,25)26)29-22-19-9-5-6-10-20(19)27-21(28-22)17-7-3-2-4-8-17/h2-14H,1H2.
What are the key properties of 2-phenyl-4-[1-[4-(trifluoromethyl)phenyl]ethenoxy]quinazoline?
2-phenyl-4-[1-[4-(trifluoromethyl)phenyl]ethenoxy]quinazoline has a molecular weight of 392.38 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[1-[4-(trifluoromethyl)phenyl]ethenoxy]quinazoline is sourced from PubChem (CID 132573440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).