3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethyl-2-hydroxyphenyl)ethenyl]quinazolin-4-one

C24H18F2N2O2 — CID 137186079

IUPAC3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethyl-2-hydroxyphenyl)ethenyl]quinazolin-4-one
SMILESCCc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2c(F)cccc2F)c1O
InChIInChI=1S/C24H18F2N2O2/c1-2-15-7-5-8-16(23(15)29)13-14-21-27-20-12-4-3-9-17(20)24(30)28(21)22-18(25)10-6-11-19(22)26/h3-14,29H,2H2,1H3/b14-13+
InChIKeyXRDGKPMUHMPGFW-BUHFOSPRSA-N
MW404.42 g/mol
LogP5.10
Rot. Bonds4

About 3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethyl-2-hydroxyphenyl)ethenyl]quinazolin-4-one

3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethyl-2-hydroxyphenyl)ethenyl]quinazolin-4-one (PubChem CID 137186079) has the molecular formula C24H18F2N2O2 and a molecular weight of 404.42 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethyl-2-hydroxyphenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethyl-2-hydroxyphenyl)ethenyl]quinazolin-4-one
PubChem CID137186079
Molecular FormulaC24H18F2N2O2
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC Name3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethyl-2-hydroxyphenyl)ethenyl]quinazolin-4-one
SMILESCCc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2c(F)cccc2F)c1O
InChIInChI=1S/C24H18F2N2O2/c1-2-15-7-5-8-16(23(15)29)13-14-21-27-20-12-4-3-9-17(20)24(30)28(21)22-18(25)10-6-11-19(22)26/h3-14,29H,2H2,1H3/b14-13+
InChIKeyXRDGKPMUHMPGFW-BUHFOSPRSA-N
XLogP5.10
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.42
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethyl-2-hydroxyphenyl)ethenyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-hydroxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5909322
4(3H)-Quinazolinone, 3-(4-hydroxy-2-methylphenyl)-2-methyl-
CID 21143
3-(2-Hydroxyphenyl)-2-phenylquinazolin-4-one
CID 708942
2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 5733482
3-(2-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4(3H)-one
CID 135648109
3-(3-Hydroxyphenyl)-2-phenylquinazolin-4-one
CID 708940
Quinazolin-4(3H)-one, 2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)-
CID 135419118
3-(3-hydroxyphenyl)-2-(4-methylphenyl)-4(3H)-quinazolinone
CID 717898
2-[(E)-2-(2-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one
CID 5729328
3-[(3,5-Difluoro-4-hydroxyphenyl)methyl]-6-(3-phenylprop-1-ynyl)quinazolin-4-one
CID 10216178
2-(2-Hydroxy-phenyl)-5-methyl-3-phenethyl-3H-quinazolin-4-one
CID 135401099
2-(2-hydroxyphenyl)-3-phenethylquinazolin-4(3H)-one
CID 135418418

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethyl-2-hydroxyphenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethyl-2-hydroxyphenyl)ethenyl]quinazolin-4-one (CID 137186079) is 3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethyl-2-hydroxyphenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethyl-2-hydroxyphenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethyl-2-hydroxyphenyl)ethenyl]quinazolin-4-one is CCc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2c(F)cccc2F)c1O.
What is the InChIKey of 3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethyl-2-hydroxyphenyl)ethenyl]quinazolin-4-one?
The InChIKey is XRDGKPMUHMPGFW-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H18F2N2O2/c1-2-15-7-5-8-16(23(15)29)13-14-21-27-20-12-4-3-9-17(20)24(30)28(21)22-18(25)10-6-11-19(22)26/h3-14,29H,2H2,1H3/b14-13+.
What are the key properties of 3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethyl-2-hydroxyphenyl)ethenyl]quinazolin-4-one?
3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethyl-2-hydroxyphenyl)ethenyl]quinazolin-4-one has a molecular weight of 404.42 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-2-[(E)-2-(3-ethyl-2-hydroxyphenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 137186079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).