1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one

C18H23NO3 — CID 54732900

IUPAC1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one
SMILESC=CCOc1c(O)c2ccccc2n(CCCCCC)c1=O
InChIInChI=1S/C18H23NO3/c1-3-5-6-9-12-19-15-11-8-7-10-14(15)16(20)17(18(19)21)22-13-4-2/h4,7-8,10-11,20H,2-3,5-6,9,12-13H2,1H3
InChIKeyFKCZHEFAYGPHDT-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.85
Rot. Bonds8

About 1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one

1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one (PubChem CID 54732900) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one.

Molecular Properties

Compound Name1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one
PubChem CID54732900
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one
SMILESC=CCOc1c(O)c2ccccc2n(CCCCCC)c1=O
InChIInChI=1S/C18H23NO3/c1-3-5-6-9-12-19-15-11-8-7-10-14(15)16(20)17(18(19)21)22-13-4-2/h4,7-8,10-11,20H,2-3,5-6,9,12-13H2,1H3
InChIKeyFKCZHEFAYGPHDT-UHFFFAOYSA-N
XLogP3.85
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-1-octyl-3-phenoxy-6-prop-2-enoxyquinolin-2-one
CID 54716374
(E)-N-(1-hexyl-4-hydroxy-2-oxo-3-prop-2-enoxyquinolin-7-yl)-3-phenylprop-2-enamide
CID 54713911
4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 140979748
3-butoxy-4-hydroxy-1-methylquinolin-2-one
CID 140995416
3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one
CID 139718563
1-butyl-3-chloro-4-hydroxyquinolin-2-one
CID 54705930
7-butoxy-1-hexyl-4-hydroxy-3-phenylmethoxyquinolin-2-one
CID 139717726
1-butyl-4,7-dihydroxy-3-octoxyquinolin-2-one
CID 139717591
4-hydroxy-1-methyl-3-nonylquinolin-2-one
CID 54687613
N-(4-hexoxy-1-hexyl-2-oxo-3-prop-2-enoxyquinolin-7-yl)benzamide
CID 23300645
N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54681664
9-hexadecylcarbazole
CID 4166588

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one?
The IUPAC name of 1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one (CID 54732900) is 1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one.
What is the SMILES notation for 1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one?
The canonical SMILES for 1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one is C=CCOc1c(O)c2ccccc2n(CCCCCC)c1=O.
What is the InChIKey of 1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one?
The InChIKey is FKCZHEFAYGPHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-5-6-9-12-19-15-11-8-7-10-14(15)16(20)17(18(19)21)22-13-4-2/h4,7-8,10-11,20H,2-3,5-6,9,12-13H2,1H3.
What are the key properties of 1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one?
1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one has a molecular weight of 301.39 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one is sourced from PubChem (CID 54732900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).