4-[[5-fluoro-3-(4-methoxyphenyl)-4-oxo-1H-quinolin-8-yl]oxy]octanamide

C24H27FN2O4 — CID 123719026

IUPAC4-[[5-fluoro-3-(4-methoxyphenyl)-4-oxo-1H-quinolin-8-yl]oxy]octanamide
SMILESCCCCC(CCC(N)=O)Oc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12
InChIInChI=1S/C24H27FN2O4/c1-3-4-5-17(10-13-21(26)28)31-20-12-11-19(25)22-23(20)27-14-18(24(22)29)15-6-8-16(30-2)9-7-15/h6-9,11-12,14,17H,3-5,10,13H2,1-2H3,(H2,26,28)(H,27,29)
InChIKeyMXZTYROXNVEESJ-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.55
Rot. Bonds10

About 4-[[5-fluoro-3-(4-methoxyphenyl)-4-oxo-1H-quinolin-8-yl]oxy]octanamide

4-[[5-fluoro-3-(4-methoxyphenyl)-4-oxo-1H-quinolin-8-yl]oxy]octanamide (PubChem CID 123719026) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is 4-[[5-fluoro-3-(4-methoxyphenyl)-4-oxo-1H-quinolin-8-yl]oxy]octanamide.

Molecular Properties

Compound Name4-[[5-fluoro-3-(4-methoxyphenyl)-4-oxo-1H-quinolin-8-yl]oxy]octanamide
PubChem CID123719026
Molecular FormulaC24H27FN2O4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC Name4-[[5-fluoro-3-(4-methoxyphenyl)-4-oxo-1H-quinolin-8-yl]oxy]octanamide
SMILESCCCCC(CCC(N)=O)Oc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12
InChIInChI=1S/C24H27FN2O4/c1-3-4-5-17(10-13-21(26)28)31-20-12-11-19(25)22-23(20)27-14-18(24(22)29)15-6-8-16(30-2)9-7-15/h6-9,11-12,14,17H,3-5,10,13H2,1-2H3,(H2,26,28)(H,27,29)
InChIKeyMXZTYROXNVEESJ-UHFFFAOYSA-N
XLogP4.55
TPSA94.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[5-fluoro-3-(4-methoxyphenyl)-4-oxo-1H-quinolin-8-yl]oxy]octanamide with MolForge

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Related Compounds

8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 25165676
8-bromo-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 66917247
methyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate
CID 66917193
5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one
CID 66917298
3-(2,4-dimethoxyphenyl)-8-ethoxy-5-fluoro-1H-quinolin-4-one
CID 66917235
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-butyl-3-(4-methoxyphenyl)-N,N-dimethyl-4-oxo-1H-quinoline-5-carboxamide
CID 58465318
5,8-diethoxy-3-(4-methoxyphenyl)-6-phenacyl-1H-quinolin-4-one
CID 58465340
5-fluoro-2-(hydroxymethyl)-3-(4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one
CID 58492441
1-(4-bromobutyl)-8-butyl-5-fluoro-3-(4-methoxyphenyl)quinolin-4-one
CID 70226869
(2S)-2,6-diamino-N-[2-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]ethyl]hexanamide
CID 67461733

Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-3-(4-methoxyphenyl)-4-oxo-1H-quinolin-8-yl]oxy]octanamide?
The IUPAC name of 4-[[5-fluoro-3-(4-methoxyphenyl)-4-oxo-1H-quinolin-8-yl]oxy]octanamide (CID 123719026) is 4-[[5-fluoro-3-(4-methoxyphenyl)-4-oxo-1H-quinolin-8-yl]oxy]octanamide.
What is the SMILES notation for 4-[[5-fluoro-3-(4-methoxyphenyl)-4-oxo-1H-quinolin-8-yl]oxy]octanamide?
The canonical SMILES for 4-[[5-fluoro-3-(4-methoxyphenyl)-4-oxo-1H-quinolin-8-yl]oxy]octanamide is CCCCC(CCC(N)=O)Oc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12.
What is the InChIKey of 4-[[5-fluoro-3-(4-methoxyphenyl)-4-oxo-1H-quinolin-8-yl]oxy]octanamide?
The InChIKey is MXZTYROXNVEESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4/c1-3-4-5-17(10-13-21(26)28)31-20-12-11-19(25)22-23(20)27-14-18(24(22)29)15-6-8-16(30-2)9-7-15/h6-9,11-12,14,17H,3-5,10,13H2,1-2H3,(H2,26,28)(H,27,29).
What are the key properties of 4-[[5-fluoro-3-(4-methoxyphenyl)-4-oxo-1H-quinolin-8-yl]oxy]octanamide?
4-[[5-fluoro-3-(4-methoxyphenyl)-4-oxo-1H-quinolin-8-yl]oxy]octanamide has a molecular weight of 426.49 g/mol, XLogP of 4.55, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-fluoro-3-(4-methoxyphenyl)-4-oxo-1H-quinolin-8-yl]oxy]octanamide is sourced from PubChem (CID 123719026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).