methyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate

C18H12Cl2N2O3 — CID 135811902

IUPACmethyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate
SMILESCOC(=O)c1ccc(/C=C(\Cl)c2nc3ccc(Cl)cc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H12Cl2N2O3/c1-25-18(24)11-4-2-10(3-5-11)8-14(20)16-21-15-7-6-12(19)9-13(15)17(23)22-16/h2-9H,1H3,(H,21,22,23)/b14-8-
InChIKeyMTMBVVOQUWDYMY-ZSOIEALJSA-N
MW375.21 g/mol
LogP4.10
Rot. Bonds3

About methyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate

methyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate (PubChem CID 135811902) has the molecular formula C18H12Cl2N2O3 and a molecular weight of 375.21 g/mol. Its IUPAC name is methyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate
PubChem CID135811902
Molecular FormulaC18H12Cl2N2O3
Molecular Weight375.21 g/mol
Exact Mass374.02
IUPAC Namemethyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate
SMILESCOC(=O)c1ccc(/C=C(\Cl)c2nc3ccc(Cl)cc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H12Cl2N2O3/c1-25-18(24)11-4-2-10(3-5-11)8-14(20)16-21-15-7-6-12(19)9-13(15)17(23)22-16/h2-9H,1H3,(H,21,22,23)/b14-8-
InChIKeyMTMBVVOQUWDYMY-ZSOIEALJSA-N
XLogP4.10
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate 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

6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one
CID 135817921
6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135811879
methyl 2-[(Z)-2-(4-bromophenyl)-1-chloroethenyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135736499
6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135811958
6-chloro-2-[(Z)-1-chloro-2-[4-(diethylamino)phenyl]ethenyl]-3H-quinazolin-4-one
CID 135817927
4-[(Z)-2-chloro-2-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)ethenyl]-N-methylbenzamide
CID 137306501
methyl 2-[(Z)-1-chloro-2-(4-prop-2-enoxyphenyl)ethenyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135991489
6-chloro-2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135811921
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-[(1Z,3Z)-1-chloro-3-methyl-4-phenylbuta-1,3-dienyl]-3H-quinazolin-4-one
CID 136730776
methyl 2-[(Z)-1-chloro-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135789402
2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-4-oxo-3H-quinazoline-7-carboxylic acid
CID 135789434

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate?
The IUPAC name of methyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate (CID 135811902) is methyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate.
What is the SMILES notation for methyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate?
The canonical SMILES for methyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate is COC(=O)c1ccc(/C=C(\Cl)c2nc3ccc(Cl)cc3c(=O)[nH]2)cc1.
What is the InChIKey of methyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate?
The InChIKey is MTMBVVOQUWDYMY-ZSOIEALJSA-N. The full InChI is InChI=1S/C18H12Cl2N2O3/c1-25-18(24)11-4-2-10(3-5-11)8-14(20)16-21-15-7-6-12(19)9-13(15)17(23)22-16/h2-9H,1H3,(H,21,22,23)/b14-8-.
What are the key properties of methyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate?
methyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate has a molecular weight of 375.21 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate is sourced from PubChem (CID 135811902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).