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

C19H16Cl2N2O3 — CID 135809699

IUPAC7-chloro-2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCCOc1ccc(/C=C(\Cl)c2nc3cc(Cl)ccc3c(=O)[nH]2)cc1OC
InChIInChI=1S/C19H16Cl2N2O3/c1-3-26-16-7-4-11(9-17(16)25-2)8-14(21)18-22-15-10-12(20)5-6-13(15)19(24)23-18/h4-10H,3H2,1-2H3,(H,22,23,24)/b14-8-
InChIKeyZKKWCJIJEUKYRT-ZSOIEALJSA-N
MW391.25 g/mol
LogP4.72
Rot. Bonds5

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

7-chloro-2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 135809699) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is 7-chloro-2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID135809699
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Name7-chloro-2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCCOc1ccc(/C=C(\Cl)c2nc3cc(Cl)ccc3c(=O)[nH]2)cc1OC
InChIInChI=1S/C19H16Cl2N2O3/c1-3-26-16-7-4-11(9-17(16)25-2)8-14(21)18-22-15-10-12(20)5-6-13(15)19(24)23-18/h4-10H,3H2,1-2H3,(H,22,23,24)/b14-8-
InChIKeyZKKWCJIJEUKYRT-ZSOIEALJSA-N
XLogP4.72
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-[(Z)-1-chloro-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135809712
2-[(Z)-1-chloro-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135789391
6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135811879
6-chloro-2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135811921
methyl 2-[(Z)-1-chloro-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135789402
2-[(Z)-1-chloro-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135854665
2-[4-[(E)-2-chloro-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 137269267
7-chloro-2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135809710
7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135847774
2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-8-methyl-3H-quinazolin-4-one
CID 135725671
methyl 2-[(Z)-1-chloro-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 136877425
7-chloro-2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135809695

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one (CID 135809699) is 7-chloro-2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one is CCOc1ccc(/C=C(\Cl)c2nc3cc(Cl)ccc3c(=O)[nH]2)cc1OC.
What is the InChIKey of 7-chloro-2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is ZKKWCJIJEUKYRT-ZSOIEALJSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-3-26-16-7-4-11(9-17(16)25-2)8-14(21)18-22-15-10-12(20)5-6-13(15)19(24)23-18/h4-10H,3H2,1-2H3,(H,22,23,24)/b14-8-.
What are the key properties of 7-chloro-2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one?
7-chloro-2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 391.25 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135809699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).