2-(2-methoxyethoxy)quinoline-6-carboxylic acid

C13H13NO4 — CID 122585497

IUPAC2-(2-methoxyethoxy)quinoline-6-carboxylic acid
SMILESCOCCOc1ccc2cc(C(=O)O)ccc2n1
InChIInChI=1S/C13H13NO4/c1-17-6-7-18-12-5-3-9-8-10(13(15)16)2-4-11(9)14-12/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyGNTNRBIIIHCYPX-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.96
Rot. Bonds5

About 2-(2-methoxyethoxy)quinoline-6-carboxylic acid

2-(2-methoxyethoxy)quinoline-6-carboxylic acid (PubChem CID 122585497) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyethoxy)quinoline-6-carboxylic acid
PubChem CID122585497
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name2-(2-methoxyethoxy)quinoline-6-carboxylic acid
SMILESCOCCOc1ccc2cc(C(=O)O)ccc2n1
InChIInChI=1S/C13H13NO4/c1-17-6-7-18-12-5-3-9-8-10(13(15)16)2-4-11(9)14-12/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyGNTNRBIIIHCYPX-UHFFFAOYSA-N
XLogP1.96
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.96
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

2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride
CID 122585506
2-(2-ethoxy-2-oxoethoxy)quinoline-6-carboxylic acid
CID 168935322
4-(2-methoxyethoxy)-3-methylbenzoic acid
CID 58551370
3-fluoro-4-(2-methoxyethoxy)benzoic acid
CID 28604965
ethane;quinoline-6-carboxylic acid
CID 91364452
3-(2-methoxyethoxy)-4-methylsulfanylbenzoic acid
CID 23204630
4-(2-methoxyethoxy)-6-methylnaphthalene-2-carboxylic acid
CID 82372344
4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid
CID 124926290
2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
CID 104560469
2-tert-butyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
CID 104560467
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
3-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
CID 104564096

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)quinoline-6-carboxylic acid?
The IUPAC name of 2-(2-methoxyethoxy)quinoline-6-carboxylic acid (CID 122585497) is 2-(2-methoxyethoxy)quinoline-6-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyethoxy)quinoline-6-carboxylic acid?
The canonical SMILES for 2-(2-methoxyethoxy)quinoline-6-carboxylic acid is COCCOc1ccc2cc(C(=O)O)ccc2n1.
What is the InChIKey of 2-(2-methoxyethoxy)quinoline-6-carboxylic acid?
The InChIKey is GNTNRBIIIHCYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-17-6-7-18-12-5-3-9-8-10(13(15)16)2-4-11(9)14-12/h2-5,8H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-(2-methoxyethoxy)quinoline-6-carboxylic acid?
2-(2-methoxyethoxy)quinoline-6-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)quinoline-6-carboxylic acid is sourced from PubChem (CID 122585497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).