3-(4-methoxyphenyl)-5,7-dimethyl-8-propoxy-1H-quinolin-4-one

C21H23NO3 — CID 58465317

IUPAC3-(4-methoxyphenyl)-5,7-dimethyl-8-propoxy-1H-quinolin-4-one
SMILESCCCOc1c(C)cc(C)c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12
InChIInChI=1S/C21H23NO3/c1-5-10-25-21-14(3)11-13(2)18-19(21)22-12-17(20(18)23)15-6-8-16(24-4)9-7-15/h6-9,11-12H,5,10H2,1-4H3,(H,22,23)
InChIKeyNKQCAAADZHATII-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.61
Rot. Bonds5

About 3-(4-methoxyphenyl)-5,7-dimethyl-8-propoxy-1H-quinolin-4-one

3-(4-methoxyphenyl)-5,7-dimethyl-8-propoxy-1H-quinolin-4-one (PubChem CID 58465317) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5,7-dimethyl-8-propoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5,7-dimethyl-8-propoxy-1H-quinolin-4-one
PubChem CID58465317
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name3-(4-methoxyphenyl)-5,7-dimethyl-8-propoxy-1H-quinolin-4-one
SMILESCCCOc1c(C)cc(C)c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12
InChIInChI=1S/C21H23NO3/c1-5-10-25-21-14(3)11-13(2)18-19(21)22-12-17(20(18)23)15-6-8-16(24-4)9-7-15/h6-9,11-12H,5,10H2,1-4H3,(H,22,23)
InChIKeyNKQCAAADZHATII-UHFFFAOYSA-N
XLogP4.61
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-8-methyl-5-propoxy-1H-quinolin-4-one
CID 58465292
8-chloro-3-(4-methoxyphenyl)-5-propoxy-1H-quinolin-4-one
CID 58465289
8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 25165676
5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one
CID 66917298
8-bromo-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 66917247
5-methyl-3-(2-methylphenyl)-8-propoxy-1H-quinolin-4-one
CID 58465310
5,8-diethoxy-3-(4-methoxyphenyl)-6-phenacyl-1H-quinolin-4-one
CID 58465340
6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 166443646
8-butyl-3-(4-methoxyphenyl)-N,N-dimethyl-4-oxo-1H-quinoline-5-carboxamide
CID 58465318
ethane;5-methoxy-1,3-dimethyl-2-propoxybenzene
CID 90702699
methyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate
CID 66917193
2-(furan-3-yl)-4-methyl-5-propoxybenzo[f]quinolin-1-one;2-(furan-3-yl)-5-propoxy-4H-benzo[f]quinolin-1-one;2-(4-methoxyphenyl)-5-propoxy-4H-benzo[f]quinolin-1-one;4-methyl-5-propoxy-2-thiophen-2-ylbenzo[f]quinolin-1-one;5-propoxy-2-thiophen-2-yl-4H-benzo[f]quinolin-1-one;5-propoxy-2-thiophen-3-yl-4H-benzo[f]quinolin-1-one
CID 158434305

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5,7-dimethyl-8-propoxy-1H-quinolin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-5,7-dimethyl-8-propoxy-1H-quinolin-4-one (CID 58465317) is 3-(4-methoxyphenyl)-5,7-dimethyl-8-propoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-5,7-dimethyl-8-propoxy-1H-quinolin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-5,7-dimethyl-8-propoxy-1H-quinolin-4-one is CCCOc1c(C)cc(C)c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12.
What is the InChIKey of 3-(4-methoxyphenyl)-5,7-dimethyl-8-propoxy-1H-quinolin-4-one?
The InChIKey is NKQCAAADZHATII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-5-10-25-21-14(3)11-13(2)18-19(21)22-12-17(20(18)23)15-6-8-16(24-4)9-7-15/h6-9,11-12H,5,10H2,1-4H3,(H,22,23).
What are the key properties of 3-(4-methoxyphenyl)-5,7-dimethyl-8-propoxy-1H-quinolin-4-one?
3-(4-methoxyphenyl)-5,7-dimethyl-8-propoxy-1H-quinolin-4-one has a molecular weight of 337.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5,7-dimethyl-8-propoxy-1H-quinolin-4-one is sourced from PubChem (CID 58465317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).