5-ethyl-8-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one

C20H21NO3 — CID 18771387

IUPAC5-ethyl-8-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one
SMILESCCc1ccc(OC)c2c1c(=O)c(-c1ccc(OC)cc1)cn2C
InChIInChI=1S/C20H21NO3/c1-5-13-8-11-17(24-4)19-18(13)20(22)16(12-21(19)2)14-6-9-15(23-3)10-7-14/h6-12H,5H2,1-4H3
InChIKeyYQQDHFQGGXATDO-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.79
Rot. Bonds4

About 5-ethyl-8-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one

5-ethyl-8-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one (PubChem CID 18771387) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 5-ethyl-8-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one.

Molecular Properties

Compound Name5-ethyl-8-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one
PubChem CID18771387
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name5-ethyl-8-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one
SMILESCCc1ccc(OC)c2c1c(=O)c(-c1ccc(OC)cc1)cn2C
InChIInChI=1S/C20H21NO3/c1-5-13-8-11-17(24-4)19-18(13)20(22)16(12-21(19)2)14-6-9-15(23-3)10-7-14/h6-12H,5H2,1-4H3
InChIKeyYQQDHFQGGXATDO-UHFFFAOYSA-N
XLogP3.79
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-8-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one?
The IUPAC name of 5-ethyl-8-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one (CID 18771387) is 5-ethyl-8-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one.
What is the SMILES notation for 5-ethyl-8-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one?
The canonical SMILES for 5-ethyl-8-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one is CCc1ccc(OC)c2c1c(=O)c(-c1ccc(OC)cc1)cn2C.
What is the InChIKey of 5-ethyl-8-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one?
The InChIKey is YQQDHFQGGXATDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-5-13-8-11-17(24-4)19-18(13)20(22)16(12-21(19)2)14-6-9-15(23-3)10-7-14/h6-12H,5H2,1-4H3.
What are the key properties of 5-ethyl-8-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one?
5-ethyl-8-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one has a molecular weight of 323.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-8-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one is sourced from PubChem (CID 18771387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).