1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one

C13H17NO2 — CID 43509835

IUPAC1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCCO
InChIInChI=1S/C13H17NO2/c15-10-4-3-9-14-12-6-2-1-5-11(12)7-8-13(14)16/h1-2,5-6,15H,3-4,7-10H2
InChIKeyIPRLADWEXSWCBA-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.74
Rot. Bonds4

About 1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one

1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one (PubChem CID 43509835) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one
PubChem CID43509835
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCCO
InChIInChI=1S/C13H17NO2/c15-10-4-3-9-14-12-6-2-1-5-11(12)7-8-13(14)16/h1-2,5-6,15H,3-4,7-10H2
InChIKeyIPRLADWEXSWCBA-UHFFFAOYSA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.74
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

1-(5-aminopentyl)-3,4-dihydroquinolin-2-one
CID 54965763
1-hexyl-3,4-dihydroquinolin-2-one
CID 91805726
1-[3-[4-(13-hydroxytridecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 118719930
1-(2-chloroethyl)-3,4-dihydroquinolin-2-one
CID 12992360
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one
CID 104863706
5-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)pentanoic acid
CID 43342822
3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide
CID 24704433
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
1-(5-chloropentyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 43168521
4-(5-hydroxypentyl)-1,4-benzoxazin-3-one
CID 62229355
(2S)-2-[methyl-[4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoyl]amino]propanoic acid
CID 125419117

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one (CID 43509835) is 1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one is O=C1CCc2ccccc2N1CCCCO.
What is the InChIKey of 1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one?
The InChIKey is IPRLADWEXSWCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-10-4-3-9-14-12-6-2-1-5-11(12)7-8-13(14)16/h1-2,5-6,15H,3-4,7-10H2.
What are the key properties of 1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one?
1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 43509835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).