4-[1-(4-fluorophenyl)ethenoxy]-2-phenylquinazoline

C22H15FN2O — CID 132573431

IUPAC4-[1-(4-fluorophenyl)ethenoxy]-2-phenylquinazoline
SMILESC=C(Oc1nc(-c2ccccc2)nc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C22H15FN2O/c1-15(16-11-13-18(23)14-12-16)26-22-19-9-5-6-10-20(19)24-21(25-22)17-7-3-2-4-8-17/h2-14H,1H2
InChIKeyMEGDEPQXUIUIGU-UHFFFAOYSA-N
MW342.37 g/mol
LogP5.49
Rot. Bonds4

About 4-[1-(4-fluorophenyl)ethenoxy]-2-phenylquinazoline

4-[1-(4-fluorophenyl)ethenoxy]-2-phenylquinazoline (PubChem CID 132573431) has the molecular formula C22H15FN2O and a molecular weight of 342.37 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)ethenoxy]-2-phenylquinazoline.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)ethenoxy]-2-phenylquinazoline
PubChem CID132573431
Molecular FormulaC22H15FN2O
Molecular Weight342.37 g/mol
Exact Mass342.12
IUPAC Name4-[1-(4-fluorophenyl)ethenoxy]-2-phenylquinazoline
SMILESC=C(Oc1nc(-c2ccccc2)nc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C22H15FN2O/c1-15(16-11-13-18(23)14-12-16)26-22-19-9-5-6-10-20(19)24-21(25-22)17-7-3-2-4-8-17/h2-14H,1H2
InChIKeyMEGDEPQXUIUIGU-UHFFFAOYSA-N
XLogP5.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.37
LogP ≤ 55.49
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-chlorophenyl)ethenoxy]-2-phenylquinazoline
CID 132573432
2-phenyl-4-[1-[4-(trifluoromethyl)phenyl]ethenoxy]quinazoline
CID 132573440
3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole
CID 71761123
2-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]quinazoline
CID 71814868
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline
CID 141288937
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
CID 135058525
methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate
CID 1183964
ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate
CID 741296
1-fluoro-4-[1-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzene
CID 70394045
2-[1-[4-[3-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]ethenoxy]aniline
CID 170397486
1,1,1-trifluoro-N-[4-(2-phenylquinazolin-4-yl)oxyphenyl]methanesulfonamide
CID 139753839
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 5037527

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)ethenoxy]-2-phenylquinazoline?
The IUPAC name of 4-[1-(4-fluorophenyl)ethenoxy]-2-phenylquinazoline (CID 132573431) is 4-[1-(4-fluorophenyl)ethenoxy]-2-phenylquinazoline.
What is the SMILES notation for 4-[1-(4-fluorophenyl)ethenoxy]-2-phenylquinazoline?
The canonical SMILES for 4-[1-(4-fluorophenyl)ethenoxy]-2-phenylquinazoline is C=C(Oc1nc(-c2ccccc2)nc2ccccc12)c1ccc(F)cc1.
What is the InChIKey of 4-[1-(4-fluorophenyl)ethenoxy]-2-phenylquinazoline?
The InChIKey is MEGDEPQXUIUIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O/c1-15(16-11-13-18(23)14-12-16)26-22-19-9-5-6-10-20(19)24-21(25-22)17-7-3-2-4-8-17/h2-14H,1H2.
What are the key properties of 4-[1-(4-fluorophenyl)ethenoxy]-2-phenylquinazoline?
4-[1-(4-fluorophenyl)ethenoxy]-2-phenylquinazoline has a molecular weight of 342.37 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)ethenoxy]-2-phenylquinazoline is sourced from PubChem (CID 132573431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).