4-hydroxy-1-methyl-3-octoxyquinolin-2-one

C18H25NO3 — CID 140979748

IUPAC4-hydroxy-1-methyl-3-octoxyquinolin-2-one
SMILESCCCCCCCCOc1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C18H25NO3/c1-3-4-5-6-7-10-13-22-17-16(20)14-11-8-9-12-15(14)19(2)18(17)21/h8-9,11-12,20H,3-7,10,13H2,1-2H3
InChIKeyAFRROOBQRURKPY-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.98
Rot. Bonds8

About 4-hydroxy-1-methyl-3-octoxyquinolin-2-one

4-hydroxy-1-methyl-3-octoxyquinolin-2-one (PubChem CID 140979748) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-octoxyquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-octoxyquinolin-2-one
PubChem CID140979748
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name4-hydroxy-1-methyl-3-octoxyquinolin-2-one
SMILESCCCCCCCCOc1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C18H25NO3/c1-3-4-5-6-7-10-13-22-17-16(20)14-11-8-9-12-15(14)19(2)18(17)21/h8-9,11-12,20H,3-7,10,13H2,1-2H3
InChIKeyAFRROOBQRURKPY-UHFFFAOYSA-N
XLogP3.98
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-4-hydroxy-1-methylquinolin-2-one
CID 140995416
5-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 140995435
7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 54716435
4-hydroxy-1-methyl-3-nonylquinolin-2-one
CID 54687613
pentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate
CID 54704266
1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one
CID 54732900
3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one
CID 139718563
1-butyl-4,7-dihydroxy-3-octoxyquinolin-2-one
CID 139717591
3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one
CID 139717157
4-hydroxy-1-methyl-3-octoxy-8-prop-1-enoxyquinolin-2-one
CID 57116765
4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 139717001
5-amino-7-benzoyl-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 172729096

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-octoxyquinolin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-octoxyquinolin-2-one (CID 140979748) is 4-hydroxy-1-methyl-3-octoxyquinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-octoxyquinolin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-octoxyquinolin-2-one is CCCCCCCCOc1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of 4-hydroxy-1-methyl-3-octoxyquinolin-2-one?
The InChIKey is AFRROOBQRURKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-3-4-5-6-7-10-13-22-17-16(20)14-11-8-9-12-15(14)19(2)18(17)21/h8-9,11-12,20H,3-7,10,13H2,1-2H3.
What are the key properties of 4-hydroxy-1-methyl-3-octoxyquinolin-2-one?
4-hydroxy-1-methyl-3-octoxyquinolin-2-one has a molecular weight of 303.40 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-octoxyquinolin-2-one is sourced from PubChem (CID 140979748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).