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

C22H14F2N2O — CID 20966945

IUPAC3-(2-fluorophenyl)-2-[(Z)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C\c2ccccc2F)n1-c1ccccc1F
InChIInChI=1S/C22H14F2N2O/c23-17-9-3-1-7-15(17)13-14-21-25-19-11-5-2-8-16(19)22(27)26(21)20-12-6-4-10-18(20)24/h1-14H/b14-13-
InChIKeyYGBABJOCVGUTHQ-YPKPFQOOSA-N
MW360.36 g/mol
LogP4.83
Rot. Bonds3

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

3-(2-fluorophenyl)-2-[(Z)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one (PubChem CID 20966945) has the molecular formula C22H14F2N2O and a molecular weight of 360.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-[(Z)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-[(Z)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one
PubChem CID20966945
Molecular FormulaC22H14F2N2O
Molecular Weight360.36 g/mol
Exact Mass360.11
IUPAC Name3-(2-fluorophenyl)-2-[(Z)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C\c2ccccc2F)n1-c1ccccc1F
InChIInChI=1S/C22H14F2N2O/c23-17-9-3-1-7-15(17)13-14-21-25-19-11-5-2-8-16(19)22(27)26(21)20-12-6-4-10-18(20)24/h1-14H/b14-13-
InChIKeyYGBABJOCVGUTHQ-YPKPFQOOSA-N
XLogP4.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-4-oxoquinazoline-2-carbaldehyde
CID 165126111
3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
CID 15994969
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 7334822
6-chloro-2-[2-(2-fluorophenyl)ethenyl]-3-(2-methyl-3-pyridinyl)quinazolin-4-one
CID 54092688
3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one
CID 3843780
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 6074343
3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethyl-2-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 137186079
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7334797
3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 135984240
2-[(E)-2-(2-fluorophenyl)ethenyl]-3-(3-methylphenyl)quinazolin-4-one;bis(3-(3-hydroxyphenyl)-2-[(E)-2-(3-methylphenyl)ethenyl]quinazolin-4-one);tris(3-(3-hydroxyphenyl)-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-one)
CID 162152881
2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 6306933
2-[(Z)-2-(1-methylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 92912507

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-[(Z)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(2-fluorophenyl)-2-[(Z)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one (CID 20966945) is 3-(2-fluorophenyl)-2-[(Z)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-fluorophenyl)-2-[(Z)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(2-fluorophenyl)-2-[(Z)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one is O=c1c2ccccc2nc(/C=C\c2ccccc2F)n1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2-[(Z)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one?
The InChIKey is YGBABJOCVGUTHQ-YPKPFQOOSA-N. The full InChI is InChI=1S/C22H14F2N2O/c23-17-9-3-1-7-15(17)13-14-21-25-19-11-5-2-8-16(19)22(27)26(21)20-12-6-4-10-18(20)24/h1-14H/b14-13-.
What are the key properties of 3-(2-fluorophenyl)-2-[(Z)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one?
3-(2-fluorophenyl)-2-[(Z)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one has a molecular weight of 360.36 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-[(Z)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 20966945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).