3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one

C23H35NO4 — CID 139718563

IUPAC3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one
SMILESCCCCCCCCn1c(=O)c(OCCCCCC)c(O)c2ccc(O)cc21
InChIInChI=1S/C23H35NO4/c1-3-5-7-9-10-11-15-24-20-17-18(25)13-14-19(20)21(26)22(23(24)27)28-16-12-8-6-4-2/h13-14,17,25-26H,3-12,15-16H2,1-2H3
InChIKeyUCZNTJBBBTYPQQ-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.73
Rot. Bonds13

About 3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one

3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one (PubChem CID 139718563) has the molecular formula C23H35NO4 and a molecular weight of 389.54 g/mol. Its IUPAC name is 3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one.

Molecular Properties

Compound Name3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one
PubChem CID139718563
Molecular FormulaC23H35NO4
Molecular Weight389.54 g/mol
Exact Mass389.26
IUPAC Name3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one
SMILESCCCCCCCCn1c(=O)c(OCCCCCC)c(O)c2ccc(O)cc21
InChIInChI=1S/C23H35NO4/c1-3-5-7-9-10-11-15-24-20-17-18(25)13-14-19(20)21(26)22(23(24)27)28-16-12-8-6-4-2/h13-14,17,25-26H,3-12,15-16H2,1-2H3
InChIKeyUCZNTJBBBTYPQQ-UHFFFAOYSA-N
XLogP5.73
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4,7-dihydroxy-3-octoxyquinolin-2-one
CID 139717591
4-hexoxy-7-hydroxy-3-methoxy-1-octylquinolin-2-one
CID 139717871
3-butoxy-7-hydroxy-4-methoxy-1-octylquinolin-2-one
CID 139718323
3,7-dibutoxy-1-butyl-4-hydroxyquinolin-2-one
CID 139717526
3-butoxy-7-hydroxy-1-octyl-4-phenylmethoxyquinolin-2-one
CID 139718046
1-hexyl-3,4-dihydroxy-7-octoxyquinolin-2-one
CID 139718059
3,4-dihydroxy-7-octoxy-1-octylquinolin-2-one
CID 139718130
7-butoxy-1-hexyl-4-hydroxy-3-phenylmethoxyquinolin-2-one
CID 139717726
4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 139717001
7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 54716435
4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 140979748
7-amino-3,4-dihexoxy-1-octylquinolin-2-one
CID 23300142

Frequently Asked Questions

What is the IUPAC name of 3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one?
The IUPAC name of 3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one (CID 139718563) is 3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one.
What is the SMILES notation for 3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one?
The canonical SMILES for 3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one is CCCCCCCCn1c(=O)c(OCCCCCC)c(O)c2ccc(O)cc21.
What is the InChIKey of 3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one?
The InChIKey is UCZNTJBBBTYPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO4/c1-3-5-7-9-10-11-15-24-20-17-18(25)13-14-19(20)21(26)22(23(24)27)28-16-12-8-6-4-2/h13-14,17,25-26H,3-12,15-16H2,1-2H3.
What are the key properties of 3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one?
3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one has a molecular weight of 389.54 g/mol, XLogP of 5.73, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one is sourced from PubChem (CID 139718563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).