3-(2,6-dichlorophenyl)-2-[2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one

C25H20Cl2N2O — CID 3837276

IUPAC3-(2,6-dichlorophenyl)-2-[2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one
SMILESCC(C)c1ccc(C=Cc2nc3ccccc3c(=O)n2-c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C25H20Cl2N2O/c1-16(2)18-13-10-17(11-14-18)12-15-23-28-22-9-4-3-6-19(22)25(30)29(23)24-20(26)7-5-8-21(24)27/h3-16H,1-2H3
InChIKeyANFRNRFZGIOWIN-UHFFFAOYSA-N
MW435.35 g/mol
LogP6.99
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-2-[2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one

3-(2,6-dichlorophenyl)-2-[2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one (PubChem CID 3837276) has the molecular formula C25H20Cl2N2O and a molecular weight of 435.35 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-2-[2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-2-[2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one
PubChem CID3837276
Molecular FormulaC25H20Cl2N2O
Molecular Weight435.35 g/mol
Exact Mass434.10
IUPAC Name3-(2,6-dichlorophenyl)-2-[2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one
SMILESCC(C)c1ccc(C=Cc2nc3ccccc3c(=O)n2-c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C25H20Cl2N2O/c1-16(2)18-13-10-17(11-14-18)12-15-23-28-22-9-4-3-6-19(22)25(30)29(23)24-20(26)7-5-8-21(24)27/h3-16H,1-2H3
InChIKeyANFRNRFZGIOWIN-UHFFFAOYSA-N
XLogP6.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.35
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 5168342
3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
CID 11841509
3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
CID 135436867
3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
CID 2902132
3-(2,6-dichlorophenyl)-2-(2-methylpropyl)quinazolin-4-one
CID 802442
3-(3-chlorophenyl)-2-[2-(2-chlorophenyl)ethenyl]quinazolin-4-one
CID 2965083
3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
CID 2928566
2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2957556
2-[2-(2-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 2900924
3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 20966750
2-[2-(4-hydroxyphenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
CID 3776041
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 7334822

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-2-[2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-2-[2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one (CID 3837276) is 3-(2,6-dichlorophenyl)-2-[2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-2-[2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-2-[2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one is CC(C)c1ccc(C=Cc2nc3ccccc3c(=O)n2-c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-2-[2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one?
The InChIKey is ANFRNRFZGIOWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O/c1-16(2)18-13-10-17(11-14-18)12-15-23-28-22-9-4-3-6-19(22)25(30)29(23)24-20(26)7-5-8-21(24)27/h3-16H,1-2H3.
What are the key properties of 3-(2,6-dichlorophenyl)-2-[2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one?
3-(2,6-dichlorophenyl)-2-[2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one has a molecular weight of 435.35 g/mol, XLogP of 6.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-2-[2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 3837276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).