2-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]quinazoline

C22H15FN2 — CID 71814868

IUPAC2-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]quinazoline
SMILESFc1ccc(-c2nc(/C=C/c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H15FN2/c23-18-13-11-17(12-14-18)22-24-20-9-5-4-8-19(20)21(25-22)15-10-16-6-2-1-3-7-16/h1-15H/b15-10+
InChIKeyMCSWVCFKVVPCOQ-XNTDXEJSSA-N
MW326.37 g/mol
LogP5.61
Rot. Bonds3

About 2-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]quinazoline

2-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]quinazoline (PubChem CID 71814868) has the molecular formula C22H15FN2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]quinazoline.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]quinazoline
PubChem CID71814868
Molecular FormulaC22H15FN2
Molecular Weight326.37 g/mol
Exact Mass326.12
IUPAC Name2-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]quinazoline
SMILESFc1ccc(-c2nc(/C=C/c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H15FN2/c23-18-13-11-17(12-14-18)22-24-20-9-5-4-8-19(20)21(25-22)15-10-16-6-2-1-3-7-16/h1-15H/b15-10+
InChIKeyMCSWVCFKVVPCOQ-XNTDXEJSSA-N
XLogP5.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.37
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-4-(2-phenylethenyl)quinazoline
CID 54158747
6-[(E)-2-(3-fluorophenyl)ethenyl]phenanthridine
CID 10870278
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
CID 135058525
N-(2,5-dichlorophenyl)-2-(4-fluorophenyl)quinazolin-4-amine
CID 134817436
4-[1-(4-fluorophenyl)ethenoxy]-2-phenylquinazoline
CID 132573431
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline
CID 141288937
3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one
CID 2975704
2,4-bis(4-fluorophenyl)quinoline
CID 19694816
2,3-bis[(E)-2-phenylethenyl]pyrazine
CID 15654808
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-fluorophenyl)benzo[k]phenanthridine
CID 138605623
3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole
CID 71761123
2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545355

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]quinazoline?
The IUPAC name of 2-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]quinazoline (CID 71814868) is 2-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]quinazoline.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]quinazoline?
The canonical SMILES for 2-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]quinazoline is Fc1ccc(-c2nc(/C=C/c3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]quinazoline?
The InChIKey is MCSWVCFKVVPCOQ-XNTDXEJSSA-N. The full InChI is InChI=1S/C22H15FN2/c23-18-13-11-17(12-14-18)22-24-20-9-5-4-8-19(20)21(25-22)15-10-16-6-2-1-3-7-16/h1-15H/b15-10+.
What are the key properties of 2-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]quinazoline?
2-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]quinazoline has a molecular weight of 326.37 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]quinazoline is sourced from PubChem (CID 71814868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).