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

C18H14Cl2N2O3 — CID 135811879

IUPAC6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCOc1ccc(/C=C(\Cl)c2nc3ccc(Cl)cc3c(=O)[nH]2)cc1OC
InChIInChI=1S/C18H14Cl2N2O3/c1-24-15-6-3-10(8-16(15)25-2)7-13(20)17-21-14-5-4-11(19)9-12(14)18(23)22-17/h3-9H,1-2H3,(H,21,22,23)/b13-7-
InChIKeyGTRRZCJZDSBJLK-QPEQYQDCSA-N
MW377.23 g/mol
LogP4.33
Rot. Bonds4

About 6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one

6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 135811879) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is 6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID135811879
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC Name6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCOc1ccc(/C=C(\Cl)c2nc3ccc(Cl)cc3c(=O)[nH]2)cc1OC
InChIInChI=1S/C18H14Cl2N2O3/c1-24-15-6-3-10(8-16(15)25-2)7-13(20)17-21-14-5-4-11(19)9-12(14)18(23)22-17/h3-9H,1-2H3,(H,21,22,23)/b13-7-
InChIKeyGTRRZCJZDSBJLK-QPEQYQDCSA-N
XLogP4.33
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135811921
(E)-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 135782646
6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135811958
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
methyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate
CID 135811902
2-[(Z)-1-chloro-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135789389
6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one
CID 135817921
2-[(Z)-1-chloro-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135991458
2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135549186
2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135854648
6-chloro-2-[(Z)-1-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-3H-quinazolin-4-one
CID 137289153

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one (CID 135811879) is 6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one is COc1ccc(/C=C(\Cl)c2nc3ccc(Cl)cc3c(=O)[nH]2)cc1OC.
What is the InChIKey of 6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is GTRRZCJZDSBJLK-QPEQYQDCSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c1-24-15-6-3-10(8-16(15)25-2)7-13(20)17-21-14-5-4-11(19)9-12(14)18(23)22-17/h3-9H,1-2H3,(H,21,22,23)/b13-7-.
What are the key properties of 6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one?
6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 377.23 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135811879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).