8-methoxy-4-(methylamino)quinoline-2-carboxylic acid

C12H12N2O3 — CID 84626797

IUPAC8-methoxy-4-(methylamino)quinoline-2-carboxylic acid
SMILESCNc1cc(C(=O)O)nc2c(OC)cccc12
InChIInChI=1S/C12H12N2O3/c1-13-8-6-9(12(15)16)14-11-7(8)4-3-5-10(11)17-2/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyHPSGORNWDSAUKI-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.98
Rot. Bonds3

About 8-methoxy-4-(methylamino)quinoline-2-carboxylic acid

8-methoxy-4-(methylamino)quinoline-2-carboxylic acid (PubChem CID 84626797) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 8-methoxy-4-(methylamino)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-4-(methylamino)quinoline-2-carboxylic acid
PubChem CID84626797
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name8-methoxy-4-(methylamino)quinoline-2-carboxylic acid
SMILESCNc1cc(C(=O)O)nc2c(OC)cccc12
InChIInChI=1S/C12H12N2O3/c1-13-8-6-9(12(15)16)14-11-7(8)4-3-5-10(11)17-2/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyHPSGORNWDSAUKI-UHFFFAOYSA-N
XLogP1.98
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid
CID 121004218
8-methoxy-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 55062637
8-chloro-5-methoxy-4-(methylamino)quinoline-2-carboxylic acid
CID 84640245
2-cyclopropyl-8-methoxy-N-methylquinolin-4-amine
CID 63357697
1,5-dimethoxyisoquinoline-3-carboxylic acid
CID 57440903
methyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate
CID 53113309
1-bromo-5-methoxyisoquinoline-3-carboxylic acid
CID 155891869
[4-(3-chloroanilino)-8-methoxyquinolin-2-yl]-piperidin-1-ylmethanone
CID 53020993
8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid
CID 15179627
5,8-dimethoxyquinoline-2,4-dicarboxylic acid
CID 11119371
6-hydroxy-4-(methylamino)quinoline-2-carboxylic acid
CID 84683457
8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid
CID 5079636

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-(methylamino)quinoline-2-carboxylic acid?
The IUPAC name of 8-methoxy-4-(methylamino)quinoline-2-carboxylic acid (CID 84626797) is 8-methoxy-4-(methylamino)quinoline-2-carboxylic acid.
What is the SMILES notation for 8-methoxy-4-(methylamino)quinoline-2-carboxylic acid?
The canonical SMILES for 8-methoxy-4-(methylamino)quinoline-2-carboxylic acid is CNc1cc(C(=O)O)nc2c(OC)cccc12.
What is the InChIKey of 8-methoxy-4-(methylamino)quinoline-2-carboxylic acid?
The InChIKey is HPSGORNWDSAUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-13-8-6-9(12(15)16)14-11-7(8)4-3-5-10(11)17-2/h3-6H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 8-methoxy-4-(methylamino)quinoline-2-carboxylic acid?
8-methoxy-4-(methylamino)quinoline-2-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-(methylamino)quinoline-2-carboxylic acid is sourced from PubChem (CID 84626797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).