3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one

C24H19Cl2N3O — CID 11841509

IUPAC3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
SMILESCN(C)c1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C24H19Cl2N3O/c1-28(2)17-13-10-16(11-14-17)12-15-22-27-21-9-4-3-6-18(21)24(30)29(22)23-19(25)7-5-8-20(23)26/h3-15H,1-2H3/b15-12-
InChIKeyZNWKKBDFEGEAAG-QINSGFPZSA-N
MW436.34 g/mol
LogP5.93
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one

3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one (PubChem CID 11841509) has the molecular formula C24H19Cl2N3O and a molecular weight of 436.34 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
PubChem CID11841509
Molecular FormulaC24H19Cl2N3O
Molecular Weight436.34 g/mol
Exact Mass435.09
IUPAC Name3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
SMILESCN(C)c1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C24H19Cl2N3O/c1-28(2)17-13-10-16(11-14-17)12-15-22-27-21-9-4-3-6-18(21)24(30)29(22)23-19(25)7-5-8-20(23)26/h3-15H,1-2H3/b15-12-
InChIKeyZNWKKBDFEGEAAG-QINSGFPZSA-N
XLogP5.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.34
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
CID 2902132
3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 5168342
3-(2,6-dichlorophenyl)-2-[2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one
CID 3837276
3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
CID 135436867
2-[2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-nitrophenyl)quinazolin-4-one
CID 2876177
N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline
CID 3304357
3-(3-chlorophenyl)-2-[2-(2-chlorophenyl)ethenyl]quinazolin-4-one
CID 2965083
3-(4-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-iodoquinazolin-4-one
CID 5091520
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

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one (CID 11841509) is 3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one is CN(C)c1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one?
The InChIKey is ZNWKKBDFEGEAAG-QINSGFPZSA-N. The full InChI is InChI=1S/C24H19Cl2N3O/c1-28(2)17-13-10-16(11-14-17)12-15-22-27-21-9-4-3-6-18(21)24(30)29(22)23-19(25)7-5-8-20(23)26/h3-15H,1-2H3/b15-12-.
What are the key properties of 3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one?
3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one has a molecular weight of 436.34 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one is sourced from PubChem (CID 11841509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).