2-[(E)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-3-phenylquinazolin-4-one

C24H18F2N2O3 — CID 31472984

IUPAC2-[(E)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-3-phenylquinazolin-4-one
SMILESCOc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc1OC(F)F
InChIInChI=1S/C24H18F2N2O3/c1-30-20-13-11-16(15-21(20)31-24(25)26)12-14-22-27-19-10-6-5-9-18(19)23(29)28(22)17-7-3-2-4-8-17/h2-15,24H,1H3/b14-12+
InChIKeyACCARGKSMANBON-WYMLVPIESA-N
MW420.42 g/mol
LogP5.17
Rot. Bonds6

About 2-[(E)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-3-phenylquinazolin-4-one

2-[(E)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-3-phenylquinazolin-4-one (PubChem CID 31472984) has the molecular formula C24H18F2N2O3 and a molecular weight of 420.42 g/mol. Its IUPAC name is 2-[(E)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-3-phenylquinazolin-4-one
PubChem CID31472984
Molecular FormulaC24H18F2N2O3
Molecular Weight420.42 g/mol
Exact Mass420.13
IUPAC Name2-[(E)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-3-phenylquinazolin-4-one
SMILESCOc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc1OC(F)F
InChIInChI=1S/C24H18F2N2O3/c1-30-20-13-11-16(15-21(20)31-24(25)26)12-14-22-27-19-10-6-5-9-18(19)23(29)28(22)17-7-3-2-4-8-17/h2-15,24H,1H3/b14-12+
InChIKeyACCARGKSMANBON-WYMLVPIESA-N
XLogP5.17
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.42
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(E)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-3-phenylquinazolin-4-one with MolForge

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Related Compounds

3-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethenyl]quinazolin-4-one
CID 2978952
2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2862994
3-(3-chloro-4-methoxyphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966826
2-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 3749691
2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
CID 92967429
2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 67228667
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 5379493
3-(3-chloro-4-methoxyphenyl)-2-[(E)-2-(3-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 20966836
3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one
CID 20966993
3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
CID 135436867
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 3298098

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(E)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-3-phenylquinazolin-4-one (CID 31472984) is 2-[(E)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(E)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-3-phenylquinazolin-4-one is COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc1OC(F)F.
What is the InChIKey of 2-[(E)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-3-phenylquinazolin-4-one?
The InChIKey is ACCARGKSMANBON-WYMLVPIESA-N. The full InChI is InChI=1S/C24H18F2N2O3/c1-30-20-13-11-16(15-21(20)31-24(25)26)12-14-22-27-19-10-6-5-9-18(19)23(29)28(22)17-7-3-2-4-8-17/h2-15,24H,1H3/b14-12+.
What are the key properties of 2-[(E)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-3-phenylquinazolin-4-one?
2-[(E)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-3-phenylquinazolin-4-one has a molecular weight of 420.42 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 31472984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).