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

C24H19FN2O3 — CID 20966972

IUPAC3-(2,4-dimethoxyphenyl)-2-[(E)-2-(3-fluorophenyl)ethenyl]quinazolin-4-one
SMILESCOc1ccc(-n2c(/C=C/c3cccc(F)c3)nc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C24H19FN2O3/c1-29-18-11-12-21(22(15-18)30-2)27-23(13-10-16-6-5-7-17(25)14-16)26-20-9-4-3-8-19(20)24(27)28/h3-15H,1-2H3/b13-10+
InChIKeyFWGFNUFVMXPAEB-JLHYYAGUSA-N
MW402.43 g/mol
LogP4.71
Rot. Bonds5

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

3-(2,4-dimethoxyphenyl)-2-[(E)-2-(3-fluorophenyl)ethenyl]quinazolin-4-one (PubChem CID 20966972) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-2-[(E)-2-(3-fluorophenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-2-[(E)-2-(3-fluorophenyl)ethenyl]quinazolin-4-one
PubChem CID20966972
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name3-(2,4-dimethoxyphenyl)-2-[(E)-2-(3-fluorophenyl)ethenyl]quinazolin-4-one
SMILESCOc1ccc(-n2c(/C=C/c3cccc(F)c3)nc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C24H19FN2O3/c1-29-18-11-12-21(22(15-18)30-2)27-23(13-10-16-6-5-7-17(25)14-16)26-20-9-4-3-8-19(20)24(27)28/h3-15H,1-2H3/b13-10+
InChIKeyFWGFNUFVMXPAEB-JLHYYAGUSA-N
XLogP4.71
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-2-[(E)-2-(3-fluorophenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-2-[(E)-2-(3-fluorophenyl)ethenyl]quinazolin-4-one (CID 20966972) is 3-(2,4-dimethoxyphenyl)-2-[(E)-2-(3-fluorophenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-2-[(E)-2-(3-fluorophenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-2-[(E)-2-(3-fluorophenyl)ethenyl]quinazolin-4-one is COc1ccc(-n2c(/C=C/c3cccc(F)c3)nc3ccccc3c2=O)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-2-[(E)-2-(3-fluorophenyl)ethenyl]quinazolin-4-one?
The InChIKey is FWGFNUFVMXPAEB-JLHYYAGUSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-29-18-11-12-21(22(15-18)30-2)27-23(13-10-16-6-5-7-17(25)14-16)26-20-9-4-3-8-19(20)24(27)28/h3-15H,1-2H3/b13-10+.
What are the key properties of 3-(2,4-dimethoxyphenyl)-2-[(E)-2-(3-fluorophenyl)ethenyl]quinazolin-4-one?
3-(2,4-dimethoxyphenyl)-2-[(E)-2-(3-fluorophenyl)ethenyl]quinazolin-4-one has a molecular weight of 402.43 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-2-[(E)-2-(3-fluorophenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 20966972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).