7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one

C16H8Cl4N2O — CID 135847774

IUPAC7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C(Cl)=C/c2ccc(Cl)c(Cl)c2)nc2cc(Cl)ccc12
InChIInChI=1S/C16H8Cl4N2O/c17-9-2-3-10-14(7-9)21-15(22-16(10)23)13(20)6-8-1-4-11(18)12(19)5-8/h1-7H,(H,21,22,23)/b13-6-
InChIKeyVCQCESWAMWQGEX-MLPAPPSSSA-N
MW386.07 g/mol
LogP5.62
Rot. Bonds2

About 7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one

7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 135847774) has the molecular formula C16H8Cl4N2O and a molecular weight of 386.07 g/mol. Its IUPAC name is 7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID135847774
Molecular FormulaC16H8Cl4N2O
Molecular Weight386.07 g/mol
Exact Mass383.94
IUPAC Name7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C(Cl)=C/c2ccc(Cl)c(Cl)c2)nc2cc(Cl)ccc12
InChIInChI=1S/C16H8Cl4N2O/c17-9-2-3-10-14(7-9)21-15(22-16(10)23)13(20)6-8-1-4-11(18)12(19)5-8/h1-7H,(H,21,22,23)/b13-6-
InChIKeyVCQCESWAMWQGEX-MLPAPPSSSA-N
XLogP5.62
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.07
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-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

7-chloro-2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135809695
4-[2-chloro-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzonitrile
CID 135488318
7-chloro-2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one
CID 135847238
7-chloro-2-[(Z)-1-chloro-2-(4-hydroxy-3-nitrophenyl)ethenyl]-3H-quinazolin-4-one
CID 135809716
7-chloro-2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135809699
7-chloro-2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135809710
6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one
CID 135817921
7-chloro-2-[(Z)-1-chloro-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135809712
6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135811879
2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 137300044
6-chloro-2-[(Z)-1-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-3H-quinazolin-4-one
CID 137289153
6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135811958

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one (CID 135847774) is 7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one is O=c1[nH]c(/C(Cl)=C/c2ccc(Cl)c(Cl)c2)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is VCQCESWAMWQGEX-MLPAPPSSSA-N. The full InChI is InChI=1S/C16H8Cl4N2O/c17-9-2-3-10-14(7-9)21-15(22-16(10)23)13(20)6-8-1-4-11(18)12(19)5-8/h1-7H,(H,21,22,23)/b13-6-.
What are the key properties of 7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one?
7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 386.07 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135847774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).