3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one

C18H25NO4 — CID 139717151

IUPAC3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one
SMILESCCCCCCCCOc1ccc2c(OC)c(O)c(=O)[nH]c2c1
InChIInChI=1S/C18H25NO4/c1-3-4-5-6-7-8-11-23-13-9-10-14-15(12-13)19-18(21)16(20)17(14)22-2/h9-10,12,20H,3-8,11H2,1-2H3,(H,19,21)
InChIKeyJJYXMSMIYZSADB-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.98
Rot. Bonds9

About 3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one

3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one (PubChem CID 139717151) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one
PubChem CID139717151
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one
SMILESCCCCCCCCOc1ccc2c(OC)c(O)c(=O)[nH]c2c1
InChIInChI=1S/C18H25NO4/c1-3-4-5-6-7-8-11-23-13-9-10-14-15(12-13)19-18(21)16(20)17(14)22-2/h9-10,12,20H,3-8,11H2,1-2H3,(H,19,21)
InChIKeyJJYXMSMIYZSADB-UHFFFAOYSA-N
XLogP3.98
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(7-hexoxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate
CID 139718077
7-butoxy-4-methoxy-3-(3-methylbut-2-enoxy)-1H-quinolin-2-one
CID 139716963
4-butoxy-3-octoxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139718526
3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one
CID 139716948
4-butoxy-7-hydroxy-3-octoxy-1H-quinolin-2-one
CID 139718292
6-decoxy-3-hydroxy-4-methoxychromen-2-one
CID 19929351
4-butoxy-3-hydroxy-7-nitro-1H-quinolin-2-one
CID 23300637
7-(ethylamino)-3-hexoxy-4-methoxy-1H-quinolin-2-one
CID 23301146
4-hydroxy-3,7-dimethoxy-1H-quinolin-2-one
CID 139718554
6-butoxy-1,2-dihydroindazol-3-one
CID 70661188
3-butoxy-7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one
CID 139718255
4-butoxy-7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-hexoxy-1H-quinolin-2-one
CID 139717318

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one?
The IUPAC name of 3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one (CID 139717151) is 3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one?
The canonical SMILES for 3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one is CCCCCCCCOc1ccc2c(OC)c(O)c(=O)[nH]c2c1.
What is the InChIKey of 3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one?
The InChIKey is JJYXMSMIYZSADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-3-4-5-6-7-8-11-23-13-9-10-14-15(12-13)19-18(21)16(20)17(14)22-2/h9-10,12,20H,3-8,11H2,1-2H3,(H,19,21).
What are the key properties of 3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one?
3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one has a molecular weight of 319.40 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one is sourced from PubChem (CID 139717151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).