3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one

C22H16FN3O — CID 78322132

IUPAC3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
SMILESNc1cccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C22H16FN3O/c23-16-11-8-15(9-12-16)10-13-21-25-20-7-2-1-6-19(20)22(27)26(21)18-5-3-4-17(24)14-18/h1-14H,24H2/b13-10+
InChIKeyGYCVTCVPVPOPHB-JLHYYAGUSA-N
MW357.39 g/mol
LogP4.28
Rot. Bonds3

About 3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one

3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one (PubChem CID 78322132) has the molecular formula C22H16FN3O and a molecular weight of 357.39 g/mol. Its IUPAC name is 3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
PubChem CID78322132
Molecular FormulaC22H16FN3O
Molecular Weight357.39 g/mol
Exact Mass357.13
IUPAC Name3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
SMILESNc1cccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C22H16FN3O/c23-16-11-8-15(9-12-16)10-13-21-25-20-7-2-1-6-19(20)22(27)26(21)18-5-3-4-17(24)14-18/h1-14H,24H2/b13-10+
InChIKeyGYCVTCVPVPOPHB-JLHYYAGUSA-N
XLogP4.28
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
CID 92955316
2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one
CID 92522255
3-(3-chloro-4-methoxyphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966826
3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
CID 2928566
N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]-3-hydroxypropanamide
CID 78322441
3-(3-aminophenyl)-2-[(4-fluorophenyl)methylamino]quinazolin-4-one
CID 155529993
2-[2-(4-hydroxyphenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
CID 3776041
2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 67228667
2-[(E)-2-pyridin-4-ylethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 6138619
3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide
CID 118858186
3-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
CID 71819828
2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2957556

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one (CID 78322132) is 3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one is Nc1cccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccccc3c2=O)c1.
What is the InChIKey of 3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one?
The InChIKey is GYCVTCVPVPOPHB-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H16FN3O/c23-16-11-8-15(9-12-16)10-13-21-25-20-7-2-1-6-19(20)22(27)26(21)18-5-3-4-17(24)14-18/h1-14H,24H2/b13-10+.
What are the key properties of 3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one?
3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one has a molecular weight of 357.39 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 78322132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).