4-hexoxy-1-hydroxyquinolin-2-one

C15H19NO3 — CID 140979704

IUPAC4-hexoxy-1-hydroxyquinolin-2-one
SMILESCCCCCCOc1cc(=O)n(O)c2ccccc12
InChIInChI=1S/C15H19NO3/c1-2-3-4-7-10-19-14-11-15(17)16(18)13-9-6-5-8-12(13)14/h5-6,8-9,11,18H,2-4,7,10H2,1H3
InChIKeyFHKNCUDRDIAEOE-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.20
Rot. Bonds6

About 4-hexoxy-1-hydroxyquinolin-2-one

4-hexoxy-1-hydroxyquinolin-2-one (PubChem CID 140979704) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-hexoxy-1-hydroxyquinolin-2-one.

Molecular Properties

Compound Name4-hexoxy-1-hydroxyquinolin-2-one
PubChem CID140979704
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-hexoxy-1-hydroxyquinolin-2-one
SMILESCCCCCCOc1cc(=O)n(O)c2ccccc12
InChIInChI=1S/C15H19NO3/c1-2-3-4-7-10-19-14-11-15(17)16(18)13-9-6-5-8-12(13)14/h5-6,8-9,11,18H,2-4,7,10H2,1H3
InChIKeyFHKNCUDRDIAEOE-UHFFFAOYSA-N
XLogP3.20
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-4-(3-methylbut-2-enoxy)quinolin-2-one
CID 140979702
4-[4-(2-oxo-1-phenylquinolin-4-yl)oxybutoxy]-1-phenylquinolin-2-one
CID 110273820
1,4-didodecoxynaphthalene
CID 21304164
3,4-dihexoxynaphthalen-1-ol
CID 19873008
4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 140979748
9,10-dioctoxyanthracene
CID 21304201
2-octadecoxycyclohepta-2,4,6-trien-1-one
CID 102106864
2-tridecoxyphenol
CID 67178320
(2-octoxyphenyl)methanol
CID 43128604
1,4,5,8-tetrahexoxyanthracene
CID 101142141
3-formyl-2-tetradecoxyindole-1-carboxylic acid
CID 170943333
1-bromo-4-pentoxynaphthalene-2-carboxylic acid
CID 19363375

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-1-hydroxyquinolin-2-one?
The IUPAC name of 4-hexoxy-1-hydroxyquinolin-2-one (CID 140979704) is 4-hexoxy-1-hydroxyquinolin-2-one.
What is the SMILES notation for 4-hexoxy-1-hydroxyquinolin-2-one?
The canonical SMILES for 4-hexoxy-1-hydroxyquinolin-2-one is CCCCCCOc1cc(=O)n(O)c2ccccc12.
What is the InChIKey of 4-hexoxy-1-hydroxyquinolin-2-one?
The InChIKey is FHKNCUDRDIAEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-3-4-7-10-19-14-11-15(17)16(18)13-9-6-5-8-12(13)14/h5-6,8-9,11,18H,2-4,7,10H2,1H3.
What are the key properties of 4-hexoxy-1-hydroxyquinolin-2-one?
4-hexoxy-1-hydroxyquinolin-2-one has a molecular weight of 261.32 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-1-hydroxyquinolin-2-one is sourced from PubChem (CID 140979704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).