3-hydroxy-2-octyl-1H-quinolin-4-one

C17H23NO2 — CID 50915414

IUPAC3-hydroxy-2-octyl-1H-quinolin-4-one
SMILESCCCCCCCCc1[nH]c2ccccc2c(=O)c1O
InChIInChI=1S/C17H23NO2/c1-2-3-4-5-6-7-12-15-17(20)16(19)13-10-8-9-11-14(13)18-15/h8-11,20H,2-7,12H2,1H3,(H,18,19)
InChIKeyALGAHAZZESMXCK-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.14
Rot. Bonds7

About 3-hydroxy-2-octyl-1H-quinolin-4-one

3-hydroxy-2-octyl-1H-quinolin-4-one (PubChem CID 50915414) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-hydroxy-2-octyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-octyl-1H-quinolin-4-one
PubChem CID50915414
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-hydroxy-2-octyl-1H-quinolin-4-one
SMILESCCCCCCCCc1[nH]c2ccccc2c(=O)c1O
InChIInChI=1S/C17H23NO2/c1-2-3-4-5-6-7-12-15-17(20)16(19)13-10-8-9-11-14(13)18-15/h8-11,20H,2-7,12H2,1H3,(H,18,19)
InChIKeyALGAHAZZESMXCK-UHFFFAOYSA-N
XLogP4.14
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-octyl-3-phenyl-1H-quinolin-4-one
CID 135391605
5,6,7,8-tetradeuterio-3-hydroxy-2-nonyl-1H-quinolin-4-one
CID 166603958
3-(2-chlorophenyl)-2-hexyl-1H-indole
CID 86023590
3-heptyl-4-methyl-1H-quinolin-2-one
CID 70126082
4-methyl-3-pentyl-1H-quinolin-2-one
CID 46708124
naphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone
CID 121305366
2-(2-pentyl-1H-indol-3-yl)ethyl acetate
CID 11054855
2-benzyl-3-butyl-1H-quinolin-4-one
CID 131850780
2-heptyl-1H-quinolin-4-one
CID 172676765
2-heptyl-1H-quinolin-4-one
CID 172676764
2-[(heptylamino)methyl]-3-methyl-1H-quinolin-4-one
CID 59526954
3-methyl-2-octyl-1H-quinolin-4-one;1-(3-methyl-2-octylquinolin-4-yl)oxypropan-2-one
CID 158977020

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-octyl-1H-quinolin-4-one?
The IUPAC name of 3-hydroxy-2-octyl-1H-quinolin-4-one (CID 50915414) is 3-hydroxy-2-octyl-1H-quinolin-4-one.
What is the SMILES notation for 3-hydroxy-2-octyl-1H-quinolin-4-one?
The canonical SMILES for 3-hydroxy-2-octyl-1H-quinolin-4-one is CCCCCCCCc1[nH]c2ccccc2c(=O)c1O.
What is the InChIKey of 3-hydroxy-2-octyl-1H-quinolin-4-one?
The InChIKey is ALGAHAZZESMXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-3-4-5-6-7-12-15-17(20)16(19)13-10-8-9-11-14(13)18-15/h8-11,20H,2-7,12H2,1H3,(H,18,19).
What are the key properties of 3-hydroxy-2-octyl-1H-quinolin-4-one?
3-hydroxy-2-octyl-1H-quinolin-4-one has a molecular weight of 273.38 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-octyl-1H-quinolin-4-one is sourced from PubChem (CID 50915414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).