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

C16H9Cl3N2O — CID 135809695

IUPAC7-chloro-2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C(Cl)=C/c2cccc(Cl)c2)nc2cc(Cl)ccc12
InChIInChI=1S/C16H9Cl3N2O/c17-10-3-1-2-9(6-10)7-13(19)15-20-14-8-11(18)4-5-12(14)16(22)21-15/h1-8H,(H,20,21,22)/b13-7-
InChIKeyGDNVNMXFHOKGMC-QPEQYQDCSA-N
MW351.62 g/mol
LogP4.97
Rot. Bonds2

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

7-chloro-2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 135809695) has the molecular formula C16H9Cl3N2O and a molecular weight of 351.62 g/mol. Its IUPAC name is 7-chloro-2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID135809695
Molecular FormulaC16H9Cl3N2O
Molecular Weight351.62 g/mol
Exact Mass349.98
IUPAC Name7-chloro-2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C(Cl)=C/c2cccc(Cl)c2)nc2cc(Cl)ccc12
InChIInChI=1S/C16H9Cl3N2O/c17-10-3-1-2-9(6-10)7-13(19)15-20-14-8-11(18)4-5-12(14)16(22)21-15/h1-8H,(H,20,21,22)/b13-7-
InChIKeyGDNVNMXFHOKGMC-QPEQYQDCSA-N
XLogP4.97
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.62
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-chloro-2-[(Z)-1-chloro-2-(3-chlorophenyl)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-methylphenyl)ethenyl]-3H-quinazolin-4-one
CID 135847238
7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135847774
6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one
CID 135817921
4-[2-chloro-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzonitrile
CID 135488318
2-[(Z)-1-chloro-2-[3-[(Z)-2-chloro-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]phenyl]ethenyl]-3H-quinazolin-4-one
CID 135868153
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
2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 137300044
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
4-[(Z)-2-chloro-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]-2-methoxy-6-nitrophenolate
CID 135809717

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-3H-quinazolin-4-one (CID 135809695) is 7-chloro-2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-3H-quinazolin-4-one is O=c1[nH]c(/C(Cl)=C/c2cccc(Cl)c2)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is GDNVNMXFHOKGMC-QPEQYQDCSA-N. The full InChI is InChI=1S/C16H9Cl3N2O/c17-10-3-1-2-9(6-10)7-13(19)15-20-14-8-11(18)4-5-12(14)16(22)21-15/h1-8H,(H,20,21,22)/b13-7-.
What are the key properties of 7-chloro-2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-3H-quinazolin-4-one?
7-chloro-2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 351.62 g/mol, XLogP of 4.97, 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-chlorophenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135809695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).