2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C20H19ClN2O3 — CID 9032368

IUPAC2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1ccc(/C=C(\Cl)c2cc(=O)n3cc(C)ccc3n2)cc1OC
InChIInChI=1S/C20H19ClN2O3/c1-4-26-17-7-6-14(10-18(17)25-3)9-15(21)16-11-20(24)23-12-13(2)5-8-19(23)22-16/h5-12H,4H2,1-3H3/b15-9-
InChIKeyWMTKSASUBZDUGR-DHDCSXOGSA-N
MW370.84 g/mol
LogP4.15
Rot. Bonds5

About 2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 9032368) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID9032368
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1ccc(/C=C(\Cl)c2cc(=O)n3cc(C)ccc3n2)cc1OC
InChIInChI=1S/C20H19ClN2O3/c1-4-26-17-7-6-14(10-18(17)25-3)9-15(21)16-11-20(24)23-12-13(2)5-8-19(23)22-16/h5-12H,4H2,1-3H3/b15-9-
InChIKeyWMTKSASUBZDUGR-DHDCSXOGSA-N
XLogP4.15
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7-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]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 9032588
2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 9032466
2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9027205
ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 102144487
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoate
CID 8536051
2-[(Z)-1-chloro-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9027137
2-[1-chloro-2-(4-methylphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
CID 71901926
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoate
CID 7549381
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoate
CID 8565907
2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9027194
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-ethoxy-4-propoxybenzoate
CID 7680739
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-chloro-4-ethoxy-5-methoxybenzoate
CID 8569355

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 9032368) is 2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is CCOc1ccc(/C=C(\Cl)c2cc(=O)n3cc(C)ccc3n2)cc1OC.
What is the InChIKey of 2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WMTKSASUBZDUGR-DHDCSXOGSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-4-26-17-7-6-14(10-18(17)25-3)9-15(21)16-11-20(24)23-12-13(2)5-8-19(23)22-16/h5-12H,4H2,1-3H3/b15-9-.
What are the key properties of 2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 370.84 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 9032368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).