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)

C138H107FN12O11 — CID 162152881

IUPAC2-[(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)
SMILESCc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)cc1.Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)cc1.Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)cc1.Cc1cccc(-n2c(/C=C/c3ccccc3F)nc3ccccc3c2=O)c1.Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)c1.Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)c1
InChIInChI=1S/C23H17FN2O.5C23H18N2O2/c1-16-7-6-9-18(15-16)26-22(14-13-17-8-2-4-11-20(17)24)25-21-12-5-3-10-19(21)23(26)27;2*1-16-6-4-7-17(14-16)12-13-22-24-21-11-3-2-10-20(21)23(27)25(22)18-8-5-9-19(26)15-18;3*1-16-9-11-17(12-10-16)13-14-22-24-21-8-3-2-7-20(21)23(27)25(22)18-5-4-6-19(26)15-18/h2-15H,1H3;5*2-15,26H,1H3/b14-13+;2*13-12+;3*14-13+
InChIKeyZLLDXCFOYZLRMO-SRDZIHACSA-N
MW2128.44 g/mol
LogP27.85
Rot. Bonds18

About 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)

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) (PubChem CID 162152881) has the molecular formula C138H107FN12O11 and a molecular weight of 2128.44 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name2-[(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)
PubChem CID162152881
Molecular FormulaC138H107FN12O11
Molecular Weight2128.44 g/mol
Exact Mass2126.82
IUPAC Name2-[(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)
SMILESCc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)cc1.Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)cc1.Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)cc1.Cc1cccc(-n2c(/C=C/c3ccccc3F)nc3ccccc3c2=O)c1.Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)c1.Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)c1
InChIInChI=1S/C23H17FN2O.5C23H18N2O2/c1-16-7-6-9-18(15-16)26-22(14-13-17-8-2-4-11-20(17)24)25-21-12-5-3-10-19(21)23(26)27;2*1-16-6-4-7-17(14-16)12-13-22-24-21-11-3-2-10-20(21)23(27)25(22)18-8-5-9-19(26)15-18;3*1-16-9-11-17(12-10-16)13-14-22-24-21-8-3-2-7-20(21)23(27)25(22)18-5-4-6-19(26)15-18/h2-15H,1H3;5*2-15,26H,1H3/b14-13+;2*13-12+;3*14-13+
InChIKeyZLLDXCFOYZLRMO-SRDZIHACSA-N
XLogP27.85
TPSA310.49 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002128.44
LogP ≤ 527.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 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) 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-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
CID 2928566
2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 67228667
3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide
CID 118858186
6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one
CID 3837973
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-3-(3-methylphenyl)quinazolin-4-one
CID 20966987
2-[2-(3,4-dihydroxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 2880218
3-(2-fluorophenyl)-2-[(Z)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966945
3-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
CID 71819828
2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 632826
3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
CID 717898
3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 3756781
2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
CID 92955316

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)cc1.Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)cc1.Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)cc1.Cc1cccc(-n2c(/C=C/c3ccccc3F)nc3ccccc3c2=O)c1.Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)c1.Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)c1.
What is the InChIKey of 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)?
The InChIKey is ZLLDXCFOYZLRMO-SRDZIHACSA-N. The full InChI is InChI=1S/C23H17FN2O.5C23H18N2O2/c1-16-7-6-9-18(15-16)26-22(14-13-17-8-2-4-11-20(17)24)25-21-12-5-3-10-19(21)23(26)27;2*1-16-6-4-7-17(14-16)12-13-22-24-21-11-3-2-10-20(21)23(27)25(22)18-8-5-9-19(26)15-18;3*1-16-9-11-17(12-10-16)13-14-22-24-21-8-3-2-7-20(21)23(27)25(22)18-5-4-6-19(26)15-18/h2-15H,1H3;5*2-15,26H,1H3/b14-13+;2*13-12+;3*14-13+.
What are the key properties of 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)?
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) has a molecular weight of 2128.44 g/mol, XLogP of 27.85, 18 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 162152881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).