6-[2-(2-methoxyphenyl)ethynyl]quinoline-8-carboxylic acid

C19H13NO3 — CID 69121550

IUPAC6-[2-(2-methoxyphenyl)ethynyl]quinoline-8-carboxylic acid
SMILESCOc1ccccc1C#Cc1cc(C(=O)O)c2ncccc2c1
InChIInChI=1S/C19H13NO3/c1-23-17-7-3-2-5-14(17)9-8-13-11-15-6-4-10-20-18(15)16(12-13)19(21)22/h2-7,10-12H,1H3,(H,21,22)
InChIKeyXSXNAGXTUQFMFV-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.34
Rot. Bonds2

About 6-[2-(2-methoxyphenyl)ethynyl]quinoline-8-carboxylic acid

6-[2-(2-methoxyphenyl)ethynyl]quinoline-8-carboxylic acid (PubChem CID 69121550) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 6-[2-(2-methoxyphenyl)ethynyl]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name6-[2-(2-methoxyphenyl)ethynyl]quinoline-8-carboxylic acid
PubChem CID69121550
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name6-[2-(2-methoxyphenyl)ethynyl]quinoline-8-carboxylic acid
SMILESCOc1ccccc1C#Cc1cc(C(=O)O)c2ncccc2c1
InChIInChI=1S/C19H13NO3/c1-23-17-7-3-2-5-14(17)9-8-13-11-15-6-4-10-20-18(15)16(12-13)19(21)22/h2-7,10-12H,1H3,(H,21,22)
InChIKeyXSXNAGXTUQFMFV-UHFFFAOYSA-N
XLogP3.34
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[2-(2-methoxyphenyl)ethynyl]quinoline-8-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

N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(2-methoxyphenyl)ethynyl]quinoline-8-carboxamide
CID 25127742
2,7-bis[2-(2-methoxyphenyl)ethynyl]pyrene
CID 102431257
(2-methoxyphenyl)-quinolin-8-ylmethanone
CID 81215631
6-methoxyquinoline-7-carboxylic acid
CID 131314399
7-methoxyquinoline-8-carboxylic acid
CID 68774583
2-amino-8-methoxyquinoline-3-carboxylic acid
CID 84622747
1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene
CID 11313747
1-[2-[2-(4-methoxy-3-methylphenyl)ethynyl]phenyl]ethanone
CID 175203459
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
6-(trifluoromethyl)quinoline-8-carboxylic acid
CID 129318996
palladium;quinoline-8-carboxylic acid
CID 174945118
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039992

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methoxyphenyl)ethynyl]quinoline-8-carboxylic acid?
The IUPAC name of 6-[2-(2-methoxyphenyl)ethynyl]quinoline-8-carboxylic acid (CID 69121550) is 6-[2-(2-methoxyphenyl)ethynyl]quinoline-8-carboxylic acid.
What is the SMILES notation for 6-[2-(2-methoxyphenyl)ethynyl]quinoline-8-carboxylic acid?
The canonical SMILES for 6-[2-(2-methoxyphenyl)ethynyl]quinoline-8-carboxylic acid is COc1ccccc1C#Cc1cc(C(=O)O)c2ncccc2c1.
What is the InChIKey of 6-[2-(2-methoxyphenyl)ethynyl]quinoline-8-carboxylic acid?
The InChIKey is XSXNAGXTUQFMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c1-23-17-7-3-2-5-14(17)9-8-13-11-15-6-4-10-20-18(15)16(12-13)19(21)22/h2-7,10-12H,1H3,(H,21,22).
What are the key properties of 6-[2-(2-methoxyphenyl)ethynyl]quinoline-8-carboxylic acid?
6-[2-(2-methoxyphenyl)ethynyl]quinoline-8-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxyphenyl)ethynyl]quinoline-8-carboxylic acid is sourced from PubChem (CID 69121550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).