2-(2-hydroxyanilino)-8-methoxyquinoline-3-carboxylic acid

C17H14N2O4 — CID 70545123

IUPAC2-(2-hydroxyanilino)-8-methoxyquinoline-3-carboxylic acid
SMILESCOc1cccc2cc(C(=O)O)c(Nc3ccccc3O)nc12
InChIInChI=1S/C17H14N2O4/c1-23-14-8-4-5-10-9-11(17(21)22)16(19-15(10)14)18-12-6-2-3-7-13(12)20/h2-9,20H,1H3,(H,18,19)(H,21,22)
InChIKeyJXURNEDNXDWZIO-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.39
Rot. Bonds4

About 2-(2-hydroxyanilino)-8-methoxyquinoline-3-carboxylic acid

2-(2-hydroxyanilino)-8-methoxyquinoline-3-carboxylic acid (PubChem CID 70545123) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-(2-hydroxyanilino)-8-methoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxyanilino)-8-methoxyquinoline-3-carboxylic acid
PubChem CID70545123
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name2-(2-hydroxyanilino)-8-methoxyquinoline-3-carboxylic acid
SMILESCOc1cccc2cc(C(=O)O)c(Nc3ccccc3O)nc12
InChIInChI=1S/C17H14N2O4/c1-23-14-8-4-5-10-9-11(17(21)22)16(19-15(10)14)18-12-6-2-3-7-13(12)20/h2-9,20H,1H3,(H,18,19)(H,21,22)
InChIKeyJXURNEDNXDWZIO-UHFFFAOYSA-N
XLogP3.39
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_J(1)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-8-methoxyquinoline-3-carboxylic acid
CID 84622747
3-(2-hydroxyanilino)-6-methoxypyridazine-4-carboxylic acid
CID 136965891
5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid
CID 3077597
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
3-(C,N-dimethylcarbonimidoyl)-2-(2-methoxyanilino)-6-methylpyridine-4-carboxylic acid
CID 89369426
2-(2-hydroxyanilino)-6-(2-methoxyanilino)-5-nitropyrimidine-4-carboxylic acid
CID 57474633
8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690286
8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid
CID 15179627
2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid
CID 66485426
8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid
CID 5079636
ethyl 2-(cyclopentylamino)-8-methoxyquinoline-3-carboxylate
CID 142785566

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyanilino)-8-methoxyquinoline-3-carboxylic acid?
The IUPAC name of 2-(2-hydroxyanilino)-8-methoxyquinoline-3-carboxylic acid (CID 70545123) is 2-(2-hydroxyanilino)-8-methoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxyanilino)-8-methoxyquinoline-3-carboxylic acid?
The canonical SMILES for 2-(2-hydroxyanilino)-8-methoxyquinoline-3-carboxylic acid is COc1cccc2cc(C(=O)O)c(Nc3ccccc3O)nc12.
What is the InChIKey of 2-(2-hydroxyanilino)-8-methoxyquinoline-3-carboxylic acid?
The InChIKey is JXURNEDNXDWZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-23-14-8-4-5-10-9-11(17(21)22)16(19-15(10)14)18-12-6-2-3-7-13(12)20/h2-9,20H,1H3,(H,18,19)(H,21,22).
What are the key properties of 2-(2-hydroxyanilino)-8-methoxyquinoline-3-carboxylic acid?
2-(2-hydroxyanilino)-8-methoxyquinoline-3-carboxylic acid has a molecular weight of 310.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyanilino)-8-methoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 70545123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).