5-ethenyl-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one

C20H19NO3 — CID 18771399

IUPAC5-ethenyl-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one
SMILESC=Cc1cc(OC)cc2c1c(=O)c(-c1ccc(OC)cc1)cn2C
InChIInChI=1S/C20H19NO3/c1-5-13-10-16(24-4)11-18-19(13)20(22)17(12-21(18)2)14-6-8-15(23-3)9-7-14/h5-12H,1H2,2-4H3
InChIKeyAWUPVKZHUVPKHT-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.87
Rot. Bonds4

About 5-ethenyl-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one

5-ethenyl-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one (PubChem CID 18771399) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-ethenyl-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one.

Molecular Properties

Compound Name5-ethenyl-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one
PubChem CID18771399
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name5-ethenyl-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one
SMILESC=Cc1cc(OC)cc2c1c(=O)c(-c1ccc(OC)cc1)cn2C
InChIInChI=1S/C20H19NO3/c1-5-13-10-16(24-4)11-18-19(13)20(22)17(12-21(18)2)14-6-8-15(23-3)9-7-14/h5-12H,1H2,2-4H3
InChIKeyAWUPVKZHUVPKHT-UHFFFAOYSA-N
XLogP3.87
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one?
The IUPAC name of 5-ethenyl-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one (CID 18771399) is 5-ethenyl-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one.
What is the SMILES notation for 5-ethenyl-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one?
The canonical SMILES for 5-ethenyl-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one is C=Cc1cc(OC)cc2c1c(=O)c(-c1ccc(OC)cc1)cn2C.
What is the InChIKey of 5-ethenyl-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one?
The InChIKey is AWUPVKZHUVPKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-5-13-10-16(24-4)11-18-19(13)20(22)17(12-21(18)2)14-6-8-15(23-3)9-7-14/h5-12H,1H2,2-4H3.
What are the key properties of 5-ethenyl-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one?
5-ethenyl-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one has a molecular weight of 321.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one is sourced from PubChem (CID 18771399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).