1,3-dibutyl-4-hydroxyquinolin-2-one

C17H23NO2 — CID 54683886

IUPAC1,3-dibutyl-4-hydroxyquinolin-2-one
SMILESCCCCc1c(O)c2ccccc2n(CCCC)c1=O
InChIInChI=1S/C17H23NO2/c1-3-5-9-14-16(19)13-10-7-8-11-15(13)18(17(14)20)12-6-4-2/h7-8,10-11,19H,3-6,9,12H2,1-2H3
InChIKeyHQJNWEYTMIIJNY-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.85
Rot. Bonds6

About 1,3-dibutyl-4-hydroxyquinolin-2-one

1,3-dibutyl-4-hydroxyquinolin-2-one (PubChem CID 54683886) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1,3-dibutyl-4-hydroxyquinolin-2-one.

Molecular Properties

Compound Name1,3-dibutyl-4-hydroxyquinolin-2-one
PubChem CID54683886
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1,3-dibutyl-4-hydroxyquinolin-2-one
SMILESCCCCc1c(O)c2ccccc2n(CCCC)c1=O
InChIInChI=1S/C17H23NO2/c1-3-5-9-14-16(19)13-10-7-8-11-15(13)18(17(14)20)12-6-4-2/h7-8,10-11,19H,3-6,9,12H2,1-2H3
InChIKeyHQJNWEYTMIIJNY-UHFFFAOYSA-N
XLogP3.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Roquinimex
CID 54676478
2,4-Dihydroxyquinoline
CID 54680871
3-Quinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ethyl ester
CID 54682929
Paquinimod
CID 54684617
Benzoic acid, 2-((acetylmethyl)amino)-
CID 793024
4-Hydroxy-N-methylcarbostyril
CID 54686436
3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-
CID 54677800
(S)-Edulinine
CID 356087
Zanthobisquinolone
CID 54688597
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
1-Benzyl-4-hydroxyquinolin-2(1H)-one
CID 54680863
4-methoxy-N-methyl-2-quinolone
CID 182073

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-4-hydroxyquinolin-2-one?
The IUPAC name of 1,3-dibutyl-4-hydroxyquinolin-2-one (CID 54683886) is 1,3-dibutyl-4-hydroxyquinolin-2-one.
What is the SMILES notation for 1,3-dibutyl-4-hydroxyquinolin-2-one?
The canonical SMILES for 1,3-dibutyl-4-hydroxyquinolin-2-one is CCCCc1c(O)c2ccccc2n(CCCC)c1=O.
What is the InChIKey of 1,3-dibutyl-4-hydroxyquinolin-2-one?
The InChIKey is HQJNWEYTMIIJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-5-9-14-16(19)13-10-7-8-11-15(13)18(17(14)20)12-6-4-2/h7-8,10-11,19H,3-6,9,12H2,1-2H3.
What are the key properties of 1,3-dibutyl-4-hydroxyquinolin-2-one?
1,3-dibutyl-4-hydroxyquinolin-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-4-hydroxyquinolin-2-one is sourced from PubChem (CID 54683886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).