2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C21H21ClN2O3 — CID 9027205

IUPAC2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCOc1cc(/C=C(\Cl)c2cc(=O)n3c(C)cccc3n2)ccc1OC
InChIInChI=1S/C21H21ClN2O3/c1-4-10-27-19-12-15(8-9-18(19)26-3)11-16(22)17-13-21(25)24-14(2)6-5-7-20(24)23-17/h5-9,11-13H,4,10H2,1-3H3/b16-11-
InChIKeyBFGSEEBZERTJTC-WJDWOHSUSA-N
MW384.86 g/mol
LogP4.54
Rot. Bonds6

About 2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 9027205) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID9027205
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCOc1cc(/C=C(\Cl)c2cc(=O)n3c(C)cccc3n2)ccc1OC
InChIInChI=1S/C21H21ClN2O3/c1-4-10-27-19-12-15(8-9-18(19)26-3)11-16(22)17-13-21(25)24-14(2)6-5-7-20(24)23-17/h5-9,11-13H,4,10H2,1-3H3/b16-11-
InChIKeyBFGSEEBZERTJTC-WJDWOHSUSA-N
XLogP4.54
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[(Z)-1-chloro-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9027137
2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 9032588
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
[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 8774843
(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoyl chloride
CID 82042141
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-enoic acid
CID 79726677
2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 9037308
2-[(Z)-1-chloro-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 9032100
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335246
4-[2-(chloromethyl)-3-methylbut-1-enyl]-1-methoxy-2-propoxybenzene
CID 79334021
2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol
CID 79334289

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 9027205) is 2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is CCCOc1cc(/C=C(\Cl)c2cc(=O)n3c(C)cccc3n2)ccc1OC.
What is the InChIKey of 2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BFGSEEBZERTJTC-WJDWOHSUSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-4-10-27-19-12-15(8-9-18(19)26-3)11-16(22)17-13-21(25)24-14(2)6-5-7-20(24)23-17/h5-9,11-13H,4,10H2,1-3H3/b16-11-.
What are the key properties of 2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 384.86 g/mol, XLogP of 4.54, 6 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-methoxy-3-propoxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 9027205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).