2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one

C18H14Cl2N2O3 — CID 135612820

IUPAC2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCCOc1cc(/C=C(\Cl)c2nc3ccccc3c(=O)[nH]2)cc(Cl)c1O
InChIInChI=1S/C18H14Cl2N2O3/c1-2-25-15-9-10(7-12(19)16(15)23)8-13(20)17-21-14-6-4-3-5-11(14)18(24)22-17/h3-9,23H,2H2,1H3,(H,21,22,24)/b13-8-
InChIKeyWYEWWPMOQIWJTI-JYRVWZFOSA-N
MW377.23 g/mol
LogP4.42
Rot. Bonds4

About 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one

2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 135612820) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID135612820
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC Name2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCCOc1cc(/C=C(\Cl)c2nc3ccccc3c(=O)[nH]2)cc(Cl)c1O
InChIInChI=1S/C18H14Cl2N2O3/c1-2-25-15-9-10(7-12(19)16(15)23)8-13(20)17-21-14-6-4-3-5-11(14)18(24)22-17/h3-9,23H,2H2,1H3,(H,21,22,24)/b13-8-
InChIKeyWYEWWPMOQIWJTI-JYRVWZFOSA-N
XLogP4.42
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)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

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-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135809699
2-[(Z)-1-chloro-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135789391
2-[(Z)-1-chloro-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-3H-quinazolin-4-one
CID 135938950
7-chloro-2-[(Z)-1-chloro-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135809712
2-[(Z)-1-chloro-2-(3-chloro-4-hydroxy-5-methoxyphenyl)ethenyl]-3,1-benzoxazin-4-one
CID 135574152
6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135811958
2-[(E)-1-chloro-2-(2-phenylpyrimidin-5-yl)ethenyl]-3H-quinazolin-4-one
CID 135960496
2-[(Z)-1-chloro-2-(4-propan-2-ylphenyl)ethenyl]-3H-quinazolin-4-one
CID 135789519
3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135725610
2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 137300044
2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135847750

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one (CID 135612820) is 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one is CCOc1cc(/C=C(\Cl)c2nc3ccccc3c(=O)[nH]2)cc(Cl)c1O.
What is the InChIKey of 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is WYEWWPMOQIWJTI-JYRVWZFOSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c1-2-25-15-9-10(7-12(19)16(15)23)8-13(20)17-21-14-6-4-3-5-11(14)18(24)22-17/h3-9,23H,2H2,1H3,(H,21,22,24)/b13-8-.
What are the key properties of 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one?
2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 377.23 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135612820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).