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

C16H9Cl3N2O — CID 137300044

IUPAC2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C(Cl)=C/c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C16H9Cl3N2O/c17-10-6-5-9(12(18)8-10)7-13(19)15-20-14-4-2-1-3-11(14)16(22)21-15/h1-8H,(H,20,21,22)/b13-7-
InChIKeyJBOBCDQNTRSADK-QPEQYQDCSA-N
MW351.62 g/mol
LogP4.97
Rot. Bonds2

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

2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 137300044) has the molecular formula C16H9Cl3N2O and a molecular weight of 351.62 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID137300044
Molecular FormulaC16H9Cl3N2O
Molecular Weight351.62 g/mol
Exact Mass349.98
IUPAC Name2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C(Cl)=C/c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C16H9Cl3N2O/c17-10-6-5-9(12(18)8-10)7-13(19)15-20-14-4-2-1-3-11(14)16(22)21-15/h1-8H,(H,20,21,22)/b13-7-
InChIKeyJBOBCDQNTRSADK-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

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Related Compounds

6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one
CID 135817921
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-(3-chlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135809695
2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135847750
(E)-3-(2,5-dichlorophenyl)-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 135651687
7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135847774
2-[(Z)-1-chloro-2-(4-propan-2-ylphenyl)ethenyl]-3H-quinazolin-4-one
CID 135789519
N-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
CID 135538489
2-(1-chloroethenyl)-3H-quinazolin-4-one
CID 136903470
6-chloro-2-[(1Z,3Z)-1-chloro-3-methyl-4-phenylbuta-1,3-dienyl]-3H-quinazolin-4-one
CID 136730776
2-[(E)-1-chloro-2-(2-phenylpyrimidin-5-yl)ethenyl]-3H-quinazolin-4-one
CID 135960496
7-chloro-2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one
CID 135847238

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one (CID 137300044) is 2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one is O=c1[nH]c(/C(Cl)=C/c2ccc(Cl)cc2Cl)nc2ccccc12.
What is the InChIKey of 2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is JBOBCDQNTRSADK-QPEQYQDCSA-N. The full InChI is InChI=1S/C16H9Cl3N2O/c17-10-6-5-9(12(18)8-10)7-13(19)15-20-14-4-2-1-3-11(14)16(22)21-15/h1-8H,(H,20,21,22)/b13-7-.
What are the key properties of 2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one?
2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)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 2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137300044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).