3-(4-methoxyphenyl)-8-methyl-5-propoxy-1H-quinolin-4-one

C20H21NO3 — CID 58465292

IUPAC3-(4-methoxyphenyl)-8-methyl-5-propoxy-1H-quinolin-4-one
SMILESCCCOc1ccc(C)c2[nH]cc(-c3ccc(OC)cc3)c(=O)c12
InChIInChI=1S/C20H21NO3/c1-4-11-24-17-10-5-13(2)19-18(17)20(22)16(12-21-19)14-6-8-15(23-3)9-7-14/h5-10,12H,4,11H2,1-3H3,(H,21,22)
InChIKeyGIFODZGFFCEQAW-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.30
Rot. Bonds5

About 3-(4-methoxyphenyl)-8-methyl-5-propoxy-1H-quinolin-4-one

3-(4-methoxyphenyl)-8-methyl-5-propoxy-1H-quinolin-4-one (PubChem CID 58465292) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-8-methyl-5-propoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-8-methyl-5-propoxy-1H-quinolin-4-one
PubChem CID58465292
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name3-(4-methoxyphenyl)-8-methyl-5-propoxy-1H-quinolin-4-one
SMILESCCCOc1ccc(C)c2[nH]cc(-c3ccc(OC)cc3)c(=O)c12
InChIInChI=1S/C20H21NO3/c1-4-11-24-17-10-5-13(2)19-18(17)20(22)16(12-21-19)14-6-8-15(23-3)9-7-14/h5-10,12H,4,11H2,1-3H3,(H,21,22)
InChIKeyGIFODZGFFCEQAW-UHFFFAOYSA-N
XLogP4.30
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-8-methyl-5-propoxy-1H-quinolin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-8-methyl-5-propoxy-1H-quinolin-4-one (CID 58465292) is 3-(4-methoxyphenyl)-8-methyl-5-propoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-8-methyl-5-propoxy-1H-quinolin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-8-methyl-5-propoxy-1H-quinolin-4-one is CCCOc1ccc(C)c2[nH]cc(-c3ccc(OC)cc3)c(=O)c12.
What is the InChIKey of 3-(4-methoxyphenyl)-8-methyl-5-propoxy-1H-quinolin-4-one?
The InChIKey is GIFODZGFFCEQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-4-11-24-17-10-5-13(2)19-18(17)20(22)16(12-21-19)14-6-8-15(23-3)9-7-14/h5-10,12H,4,11H2,1-3H3,(H,21,22).
What are the key properties of 3-(4-methoxyphenyl)-8-methyl-5-propoxy-1H-quinolin-4-one?
3-(4-methoxyphenyl)-8-methyl-5-propoxy-1H-quinolin-4-one has a molecular weight of 323.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-8-methyl-5-propoxy-1H-quinolin-4-one is sourced from PubChem (CID 58465292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).