6-(6-methoxyquinolin-4-yl)oxyhexanoic acid

C16H19NO4 — CID 10827290

IUPAC6-(6-methoxyquinolin-4-yl)oxyhexanoic acid
SMILESCOc1ccc2nccc(OCCCCCC(=O)O)c2c1
InChIInChI=1S/C16H19NO4/c1-20-12-6-7-14-13(11-12)15(8-9-17-14)21-10-4-2-3-5-16(18)19/h6-9,11H,2-5,10H2,1H3,(H,18,19)
InChIKeyQJCWOGZUGYBYEH-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.27
Rot. Bonds8

About 6-(6-methoxyquinolin-4-yl)oxyhexanoic acid

6-(6-methoxyquinolin-4-yl)oxyhexanoic acid (PubChem CID 10827290) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6-(6-methoxyquinolin-4-yl)oxyhexanoic acid.

Molecular Properties

Compound Name6-(6-methoxyquinolin-4-yl)oxyhexanoic acid
PubChem CID10827290
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name6-(6-methoxyquinolin-4-yl)oxyhexanoic acid
SMILESCOc1ccc2nccc(OCCCCCC(=O)O)c2c1
InChIInChI=1S/C16H19NO4/c1-20-12-6-7-14-13(11-12)15(8-9-17-14)21-10-4-2-3-5-16(18)19/h6-9,11H,2-5,10H2,1H3,(H,18,19)
InChIKeyQJCWOGZUGYBYEH-UHFFFAOYSA-N
XLogP3.27
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.27
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

ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine
CID 157043543
6-methoxy-4-prop-2-enoxyquinoline
CID 86730706
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
sodium;hydride;6-methoxyquinoline-4-carboxylic acid
CID 173088597
4-(2-amino-4-methoxyphenoxy)butanoic acid
CID 123796019
11-(2-methoxyphenoxy)undecanoic acid
CID 54541327
4-benzylperoxy-6-methoxyquinoline
CID 141085895
7-(2,5-dimethylphenoxy)heptanoic acid
CID 39353078
6-methoxy-4-[2-[2-[2-[2-(6-methoxyquinolin-4-yl)oxyethylamino]ethylsulfanylsulfonyloxy]ethylamino]ethoxy]quinoline
CID 22213818
(E)-but-2-enedioic acid;6-methoxyquinolin-4-amine
CID 87801911
methyl 3-(6-methoxyquinolin-4-yl)-3-oxopropanoate
CID 82665606
6-[4-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid
CID 67259239

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxyquinolin-4-yl)oxyhexanoic acid?
The IUPAC name of 6-(6-methoxyquinolin-4-yl)oxyhexanoic acid (CID 10827290) is 6-(6-methoxyquinolin-4-yl)oxyhexanoic acid.
What is the SMILES notation for 6-(6-methoxyquinolin-4-yl)oxyhexanoic acid?
The canonical SMILES for 6-(6-methoxyquinolin-4-yl)oxyhexanoic acid is COc1ccc2nccc(OCCCCCC(=O)O)c2c1.
What is the InChIKey of 6-(6-methoxyquinolin-4-yl)oxyhexanoic acid?
The InChIKey is QJCWOGZUGYBYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-20-12-6-7-14-13(11-12)15(8-9-17-14)21-10-4-2-3-5-16(18)19/h6-9,11H,2-5,10H2,1H3,(H,18,19).
What are the key properties of 6-(6-methoxyquinolin-4-yl)oxyhexanoic acid?
6-(6-methoxyquinolin-4-yl)oxyhexanoic acid has a molecular weight of 289.33 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxyquinolin-4-yl)oxyhexanoic acid is sourced from PubChem (CID 10827290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).