methyl 2-[4-[[3,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]-6-oxo-1-pyridinyl]methyl]phenyl]acetate

C24H21Cl2NO4 — CID 59406073

IUPACmethyl 2-[4-[[3,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]-6-oxo-1-pyridinyl]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(Cn2c(/C=C/c3cccc(OC)c3)c(Cl)cc(Cl)c2=O)cc1
InChIInChI=1S/C24H21Cl2NO4/c1-30-19-5-3-4-16(12-19)10-11-22-20(25)14-21(26)24(29)27(22)15-18-8-6-17(7-9-18)13-23(28)31-2/h3-12,14H,13,15H2,1-2H3/b11-10+
InChIKeyKKWWYPFBBXHYTR-ZHACJKMWSA-N
MW458.34 g/mol
LogP5.10
Rot. Bonds7

About methyl 2-[4-[[3,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]-6-oxo-1-pyridinyl]methyl]phenyl]acetate

methyl 2-[4-[[3,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]-6-oxo-1-pyridinyl]methyl]phenyl]acetate (PubChem CID 59406073) has the molecular formula C24H21Cl2NO4 and a molecular weight of 458.34 g/mol. Its IUPAC name is methyl 2-[4-[[3,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]-6-oxo-1-pyridinyl]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[3,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]-6-oxo-1-pyridinyl]methyl]phenyl]acetate
PubChem CID59406073
Molecular FormulaC24H21Cl2NO4
Molecular Weight458.34 g/mol
Exact Mass457.08
IUPAC Namemethyl 2-[4-[[3,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]-6-oxo-1-pyridinyl]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(Cn2c(/C=C/c3cccc(OC)c3)c(Cl)cc(Cl)c2=O)cc1
InChIInChI=1S/C24H21Cl2NO4/c1-30-19-5-3-4-16(12-19)10-11-22-20(25)14-21(26)24(29)27(22)15-18-8-6-17(7-9-18)13-23(28)31-2/h3-12,14H,13,15H2,1-2H3/b11-10+
InChIKeyKKWWYPFBBXHYTR-ZHACJKMWSA-N
XLogP5.10
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.34
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[[3,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]-6-oxo-1-pyridinyl]methyl]phenyl]acetate with MolForge

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Related Compounds

1-[4-[2-[3,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]-6-oxo-1-pyridinyl]ethyl]phenyl]-3-methylsulfonylurea
CID 59406054
4-[2-[3,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]-6-oxo-1-pyridinyl]ethyl]-N-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]benzamide
CID 59405883
N-(cyclohexylsulfamoyl)-4-[2-[3,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]-6-oxo-1-pyridinyl]ethyl]benzamide
CID 59405843
1-[(4-chlorophenyl)methyl]-5-[2-(3-methoxyphenyl)ethenyl]pyridin-2-one
CID 69442300
3,5-dichloro-6-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridin-2-one
CID 141221396
3,5-dichloro-4-[(Z)-2-(3-methoxyphenyl)ethenyl]phenol
CID 101118974
methyl 4-[2-[3-chloro-6-oxo-2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1-pyridinyl]ethyl]benzoate
CID 59405973
(E)-1-(1-benzylbenzimidazol-2-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 177248540
methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate
CID 108905996
methyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate
CID 169464038
methyl 2-[3-(4-hydroxybut-1-enyl)phenyl]acetate
CID 170477090
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[3,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]-6-oxo-1-pyridinyl]methyl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[[3,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]-6-oxo-1-pyridinyl]methyl]phenyl]acetate (CID 59406073) is methyl 2-[4-[[3,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]-6-oxo-1-pyridinyl]methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[[3,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]-6-oxo-1-pyridinyl]methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[[3,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]-6-oxo-1-pyridinyl]methyl]phenyl]acetate is COC(=O)Cc1ccc(Cn2c(/C=C/c3cccc(OC)c3)c(Cl)cc(Cl)c2=O)cc1.
What is the InChIKey of methyl 2-[4-[[3,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]-6-oxo-1-pyridinyl]methyl]phenyl]acetate?
The InChIKey is KKWWYPFBBXHYTR-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H21Cl2NO4/c1-30-19-5-3-4-16(12-19)10-11-22-20(25)14-21(26)24(29)27(22)15-18-8-6-17(7-9-18)13-23(28)31-2/h3-12,14H,13,15H2,1-2H3/b11-10+.
What are the key properties of methyl 2-[4-[[3,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]-6-oxo-1-pyridinyl]methyl]phenyl]acetate?
methyl 2-[4-[[3,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]-6-oxo-1-pyridinyl]methyl]phenyl]acetate has a molecular weight of 458.34 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[3,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]-6-oxo-1-pyridinyl]methyl]phenyl]acetate is sourced from PubChem (CID 59406073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).