4-butoxy-3-butyl-1H-quinolin-2-one

C17H23NO2 — CID 46886201

IUPAC4-butoxy-3-butyl-1H-quinolin-2-one
SMILESCCCCOc1c(CCCC)c(=O)[nH]c2ccccc12
InChIInChI=1S/C17H23NO2/c1-3-5-9-14-16(20-12-6-4-2)13-10-7-8-11-15(13)18-17(14)19/h7-8,10-11H,3-6,9,12H2,1-2H3,(H,18,19)
InChIKeyGPPAZACCCLWBRL-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.05
Rot. Bonds7

About 4-butoxy-3-butyl-1H-quinolin-2-one

4-butoxy-3-butyl-1H-quinolin-2-one (PubChem CID 46886201) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-butoxy-3-butyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-butoxy-3-butyl-1H-quinolin-2-one
PubChem CID46886201
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-butoxy-3-butyl-1H-quinolin-2-one
SMILESCCCCOc1c(CCCC)c(=O)[nH]c2ccccc12
InChIInChI=1S/C17H23NO2/c1-3-5-9-14-16(20-12-6-4-2)13-10-7-8-11-15(13)18-17(14)19/h7-8,10-11H,3-6,9,12H2,1-2H3,(H,18,19)
InChIKeyGPPAZACCCLWBRL-UHFFFAOYSA-N
XLogP4.05
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl n-acetylanthranilate
CID 17623
6-Chloro-4-(cyclohexyloxy)-3-propylquinolin-2(1H)-one
CID 448724
4-((Cyclopropylethynyl)oxy)-6-fluoro-3-isopropylquinolin-2(1H)-one
CID 448725
6-Chloro-4-(cyclohexyloxy)-3-isopropylquinolin-2(1H)-one
CID 448729
Flindersine
CID 68230
4-methoxy-N-methyl-2-quinolone
CID 182073
Bucharaine
CID 5338262
4-Ethoxycarbonyl-2-quinolone
CID 160782
Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 54684458
4-Hydroxy-3-methylquinolin-2(1H)-one
CID 54678416
4-Methoxy-3-(3-methyl-1,3-butadienyl)-2(1H)-quinolinone
CID 131752802
Methyl 3-methyl-2-oxo-1,2-dihydro-4-quinolinecarboxylate
CID 751540

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-butyl-1H-quinolin-2-one?
The IUPAC name of 4-butoxy-3-butyl-1H-quinolin-2-one (CID 46886201) is 4-butoxy-3-butyl-1H-quinolin-2-one.
What is the SMILES notation for 4-butoxy-3-butyl-1H-quinolin-2-one?
The canonical SMILES for 4-butoxy-3-butyl-1H-quinolin-2-one is CCCCOc1c(CCCC)c(=O)[nH]c2ccccc12.
What is the InChIKey of 4-butoxy-3-butyl-1H-quinolin-2-one?
The InChIKey is GPPAZACCCLWBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-5-9-14-16(20-12-6-4-2)13-10-7-8-11-15(13)18-17(14)19/h7-8,10-11H,3-6,9,12H2,1-2H3,(H,18,19).
What are the key properties of 4-butoxy-3-butyl-1H-quinolin-2-one?
4-butoxy-3-butyl-1H-quinolin-2-one has a molecular weight of 273.38 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-butyl-1H-quinolin-2-one is sourced from PubChem (CID 46886201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).