2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C19H16Cl2N2O3 — CID 9027194

IUPAC2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1cc(/C=C(\Cl)c2cc(=O)n3c(C)cccc3n2)cc(Cl)c1O
InChIInChI=1S/C19H16Cl2N2O3/c1-3-26-16-9-12(8-14(21)19(16)25)7-13(20)15-10-18(24)23-11(2)5-4-6-17(23)22-15/h4-10,25H,3H2,1-2H3/b13-7-
InChIKeyWJQRNKKLXMZHTB-QPEQYQDCSA-N
MW391.25 g/mol
LogP4.50
Rot. Bonds4

About 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 9027194) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID9027194
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Name2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1cc(/C=C(\Cl)c2cc(=O)n3c(C)cccc3n2)cc(Cl)c1O
InChIInChI=1S/C19H16Cl2N2O3/c1-3-26-16-9-12(8-14(21)19(16)25)7-13(20)15-10-18(24)23-11(2)5-4-6-17(23)22-15/h4-10,25H,3H2,1-2H3/b13-7-
InChIKeyWJQRNKKLXMZHTB-QPEQYQDCSA-N
XLogP4.50
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9027205
2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9027218
2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 9032368
2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135612820
(4E)-4-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-2-(3-chlorophenyl)-5-methylpyrazol-3-one
CID 135810486
2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 9032588
5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 1004078
2-chloro-4-[(Z)-2-chloro-2-quinolin-2-ylethenyl]-6-methoxyphenol
CID 135812114
3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135725610
(E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1-(2-chlorophenyl)prop-2-en-1-one
CID 8833111
2-[1-chloro-2-(4-methylphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
CID 71901926
3-(1,3-benzothiazol-2-yl)-4-(3-chloro-5-ethoxy-4-hydroxyphenyl)but-3-enoic acid
CID 4820166

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 9027194) is 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is CCOc1cc(/C=C(\Cl)c2cc(=O)n3c(C)cccc3n2)cc(Cl)c1O.
What is the InChIKey of 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WJQRNKKLXMZHTB-QPEQYQDCSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-3-26-16-9-12(8-14(21)19(16)25)7-13(20)15-10-18(24)23-11(2)5-4-6-17(23)22-15/h4-10,25H,3H2,1-2H3/b13-7-.
What are the key properties of 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 391.25 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 9027194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).