3-butanoyl-4-(4-fluoro-2-methylanilino)-8-[2-(2-hydroxyethoxy)ethoxy]-1H-quinolin-2-one

C24H27FN2O5 — CID 142628370

IUPAC3-butanoyl-4-(4-fluoro-2-methylanilino)-8-[2-(2-hydroxyethoxy)ethoxy]-1H-quinolin-2-one
SMILESCCCC(=O)c1c(Nc2ccc(F)cc2C)c2cccc(OCCOCCO)c2[nH]c1=O
InChIInChI=1S/C24H27FN2O5/c1-3-5-19(29)21-23(26-18-9-8-16(25)14-15(18)2)17-6-4-7-20(22(17)27-24(21)30)32-13-12-31-11-10-28/h4,6-9,14,28H,3,5,10-13H2,1-2H3,(H2,26,27,30)
InChIKeyHYOJZKUDIVWKHO-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.09
Rot. Bonds11

About 3-butanoyl-4-(4-fluoro-2-methylanilino)-8-[2-(2-hydroxyethoxy)ethoxy]-1H-quinolin-2-one

3-butanoyl-4-(4-fluoro-2-methylanilino)-8-[2-(2-hydroxyethoxy)ethoxy]-1H-quinolin-2-one (PubChem CID 142628370) has the molecular formula C24H27FN2O5 and a molecular weight of 442.49 g/mol. Its IUPAC name is 3-butanoyl-4-(4-fluoro-2-methylanilino)-8-[2-(2-hydroxyethoxy)ethoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-butanoyl-4-(4-fluoro-2-methylanilino)-8-[2-(2-hydroxyethoxy)ethoxy]-1H-quinolin-2-one
PubChem CID142628370
Molecular FormulaC24H27FN2O5
Molecular Weight442.49 g/mol
Exact Mass442.19
IUPAC Name3-butanoyl-4-(4-fluoro-2-methylanilino)-8-[2-(2-hydroxyethoxy)ethoxy]-1H-quinolin-2-one
SMILESCCCC(=O)c1c(Nc2ccc(F)cc2C)c2cccc(OCCOCCO)c2[nH]c1=O
InChIInChI=1S/C24H27FN2O5/c1-3-5-19(29)21-23(26-18-9-8-16(25)14-15(18)2)17-6-4-7-20(22(17)27-24(21)30)32-13-12-31-11-10-28/h4,6-9,14,28H,3,5,10-13H2,1-2H3,(H2,26,27,30)
InChIKeyHYOJZKUDIVWKHO-UHFFFAOYSA-N
XLogP4.09
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-fluoro-2-methylanilino)-8-[2-(2-hydroxyethoxy)ethoxy]quinolin-3-yl]butan-1-one
CID 10387749
1-[4-(4-fluoro-2-methylanilino)-6-(2-hydroxyethoxy)quinolin-3-yl]butan-1-one
CID 57120742
2-[2-[5-(2-ethoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 144738763
2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 58864087
N-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide
CID 8639946
2-[2-(2,5-difluorophenoxy)ethoxy]ethanol
CID 63268776
2-[2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-yl]oxyethanol
CID 10319855
1-[4-(4-fluoro-2-methylanilino)-6-(2-hydroxyethoxy)quinolin-3-yl]-2-methylpropan-1-one
CID 57311681
N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide
CID 61076230
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,5-dimethylphenoxy]ethoxy]ethoxy]ethanol
CID 59950660
2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol
CID 116689707
bis[2-[3-butanoyl-4-(2-methylanilino)quinolin-8-yl]oxyethyl] carbonate
CID 154825435

Frequently Asked Questions

What is the IUPAC name of 3-butanoyl-4-(4-fluoro-2-methylanilino)-8-[2-(2-hydroxyethoxy)ethoxy]-1H-quinolin-2-one?
The IUPAC name of 3-butanoyl-4-(4-fluoro-2-methylanilino)-8-[2-(2-hydroxyethoxy)ethoxy]-1H-quinolin-2-one (CID 142628370) is 3-butanoyl-4-(4-fluoro-2-methylanilino)-8-[2-(2-hydroxyethoxy)ethoxy]-1H-quinolin-2-one.
What is the SMILES notation for 3-butanoyl-4-(4-fluoro-2-methylanilino)-8-[2-(2-hydroxyethoxy)ethoxy]-1H-quinolin-2-one?
The canonical SMILES for 3-butanoyl-4-(4-fluoro-2-methylanilino)-8-[2-(2-hydroxyethoxy)ethoxy]-1H-quinolin-2-one is CCCC(=O)c1c(Nc2ccc(F)cc2C)c2cccc(OCCOCCO)c2[nH]c1=O.
What is the InChIKey of 3-butanoyl-4-(4-fluoro-2-methylanilino)-8-[2-(2-hydroxyethoxy)ethoxy]-1H-quinolin-2-one?
The InChIKey is HYOJZKUDIVWKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O5/c1-3-5-19(29)21-23(26-18-9-8-16(25)14-15(18)2)17-6-4-7-20(22(17)27-24(21)30)32-13-12-31-11-10-28/h4,6-9,14,28H,3,5,10-13H2,1-2H3,(H2,26,27,30).
What are the key properties of 3-butanoyl-4-(4-fluoro-2-methylanilino)-8-[2-(2-hydroxyethoxy)ethoxy]-1H-quinolin-2-one?
3-butanoyl-4-(4-fluoro-2-methylanilino)-8-[2-(2-hydroxyethoxy)ethoxy]-1H-quinolin-2-one has a molecular weight of 442.49 g/mol, XLogP of 4.09, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butanoyl-4-(4-fluoro-2-methylanilino)-8-[2-(2-hydroxyethoxy)ethoxy]-1H-quinolin-2-one is sourced from PubChem (CID 142628370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).