8-(2-methoxyethyl)quinoline-2-carboxylic acid

C13H13NO3 — CID 102941517

IUPAC8-(2-methoxyethyl)quinoline-2-carboxylic acid
SMILESCOCCc1cccc2ccc(C(=O)O)nc12
InChIInChI=1S/C13H13NO3/c1-17-8-7-10-4-2-3-9-5-6-11(13(15)16)14-12(9)10/h2-6H,7-8H2,1H3,(H,15,16)
InChIKeyKVDBJUFNQSMCBL-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.12
Rot. Bonds4

About 8-(2-methoxyethyl)quinoline-2-carboxylic acid

8-(2-methoxyethyl)quinoline-2-carboxylic acid (PubChem CID 102941517) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 8-(2-methoxyethyl)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-(2-methoxyethyl)quinoline-2-carboxylic acid
PubChem CID102941517
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name8-(2-methoxyethyl)quinoline-2-carboxylic acid
SMILESCOCCc1cccc2ccc(C(=O)O)nc12
InChIInChI=1S/C13H13NO3/c1-17-8-7-10-4-2-3-9-5-6-11(13(15)16)14-12(9)10/h2-6H,7-8H2,1H3,(H,15,16)
InChIKeyKVDBJUFNQSMCBL-UHFFFAOYSA-N
XLogP2.12
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(2-methoxyethyl)quinoline-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-8-(2-methoxyethyl)quinoline
CID 102941289
benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid
CID 161453399
quinoline-2,8-dicarboxylic acid
CID 19033995
copper;bis(8-hydroxyquinoline-2-carboxylic acid)
CID 172842653
2-carboxyquinolin-8-olate
CID 54696394
2-carboxyquinolin-8-olate;methylmercury(1+)
CID 70518723
8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide
CID 110487202
tris(2-carboxyquinolin-8-olate);terbium(3+)
CID 157443748
copper bis(2-carboxyquinolin-8-olate)
CID 54720975
bis(2-carboxyquinolin-8-olate);europium(2+)
CID 87928997
calcium bis(2-carboxyquinolin-8-olate)
CID 68819194
ethane;ethene;1,10-phenanthroline-2-carboxylic acid
CID 145372120

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)quinoline-2-carboxylic acid?
The IUPAC name of 8-(2-methoxyethyl)quinoline-2-carboxylic acid (CID 102941517) is 8-(2-methoxyethyl)quinoline-2-carboxylic acid.
What is the SMILES notation for 8-(2-methoxyethyl)quinoline-2-carboxylic acid?
The canonical SMILES for 8-(2-methoxyethyl)quinoline-2-carboxylic acid is COCCc1cccc2ccc(C(=O)O)nc12.
What is the InChIKey of 8-(2-methoxyethyl)quinoline-2-carboxylic acid?
The InChIKey is KVDBJUFNQSMCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-17-8-7-10-4-2-3-9-5-6-11(13(15)16)14-12(9)10/h2-6H,7-8H2,1H3,(H,15,16).
What are the key properties of 8-(2-methoxyethyl)quinoline-2-carboxylic acid?
8-(2-methoxyethyl)quinoline-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)quinoline-2-carboxylic acid is sourced from PubChem (CID 102941517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).