1-[(4-chlorophenyl)methyl]-5-[2-(3-methoxyphenyl)ethenyl]pyridin-2-one

C21H18ClNO2 — CID 69442300

IUPAC1-[(4-chlorophenyl)methyl]-5-[2-(3-methoxyphenyl)ethenyl]pyridin-2-one
SMILESCOc1cccc(C=Cc2ccc(=O)n(Cc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C21H18ClNO2/c1-25-20-4-2-3-16(13-20)5-6-17-9-12-21(24)23(14-17)15-18-7-10-19(22)11-8-18/h2-14H,15H2,1H3
InChIKeyDSQGCBVOGHORNL-UHFFFAOYSA-N
MW351.83 g/mol
LogP4.73
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-5-[2-(3-methoxyphenyl)ethenyl]pyridin-2-one

1-[(4-chlorophenyl)methyl]-5-[2-(3-methoxyphenyl)ethenyl]pyridin-2-one (PubChem CID 69442300) has the molecular formula C21H18ClNO2 and a molecular weight of 351.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-[2-(3-methoxyphenyl)ethenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-[2-(3-methoxyphenyl)ethenyl]pyridin-2-one
PubChem CID69442300
Molecular FormulaC21H18ClNO2
Molecular Weight351.83 g/mol
Exact Mass351.10
IUPAC Name1-[(4-chlorophenyl)methyl]-5-[2-(3-methoxyphenyl)ethenyl]pyridin-2-one
SMILESCOc1cccc(C=Cc2ccc(=O)n(Cc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C21H18ClNO2/c1-25-20-4-2-3-16(13-20)5-6-17-9-12-21(24)23(14-17)15-18-7-10-19(22)11-8-18/h2-14H,15H2,1H3
InChIKeyDSQGCBVOGHORNL-UHFFFAOYSA-N
XLogP4.73
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[2-(3-methoxyphenyl)ethenyl]pyridin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[2-(3-methoxyphenyl)ethenyl]pyridin-2-one (CID 69442300) is 1-[(4-chlorophenyl)methyl]-5-[2-(3-methoxyphenyl)ethenyl]pyridin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-[2-(3-methoxyphenyl)ethenyl]pyridin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-[2-(3-methoxyphenyl)ethenyl]pyridin-2-one is COc1cccc(C=Cc2ccc(=O)n(Cc3ccc(Cl)cc3)c2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-[2-(3-methoxyphenyl)ethenyl]pyridin-2-one?
The InChIKey is DSQGCBVOGHORNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO2/c1-25-20-4-2-3-16(13-20)5-6-17-9-12-21(24)23(14-17)15-18-7-10-19(22)11-8-18/h2-14H,15H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-[2-(3-methoxyphenyl)ethenyl]pyridin-2-one?
1-[(4-chlorophenyl)methyl]-5-[2-(3-methoxyphenyl)ethenyl]pyridin-2-one has a molecular weight of 351.83 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-[2-(3-methoxyphenyl)ethenyl]pyridin-2-one is sourced from PubChem (CID 69442300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).