4-amino-6,7-dimethoxyquinoline-2-carboxylic acid

C12H12N2O4 — CID 84632987

IUPAC4-amino-6,7-dimethoxyquinoline-2-carboxylic acid
SMILESCOc1cc2nc(C(=O)O)cc(N)c2cc1OC
InChIInChI=1S/C12H12N2O4/c1-17-10-3-6-7(13)4-9(12(15)16)14-8(6)5-11(10)18-2/h3-5H,1-2H3,(H2,13,14)(H,15,16)
InChIKeyUBSXMRVZTPRHMU-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.53
Rot. Bonds3

About 4-amino-6,7-dimethoxyquinoline-2-carboxylic acid

4-amino-6,7-dimethoxyquinoline-2-carboxylic acid (PubChem CID 84632987) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-amino-6,7-dimethoxyquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-6,7-dimethoxyquinoline-2-carboxylic acid
PubChem CID84632987
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name4-amino-6,7-dimethoxyquinoline-2-carboxylic acid
SMILESCOc1cc2nc(C(=O)O)cc(N)c2cc1OC
InChIInChI=1S/C12H12N2O4/c1-17-10-3-6-7(13)4-9(12(15)16)14-8(6)5-11(10)18-2/h3-5H,1-2H3,(H2,13,14)(H,15,16)
InChIKeyUBSXMRVZTPRHMU-UHFFFAOYSA-N
XLogP1.53
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-6-methoxy-4,7-phenanthroline-3-carboxylic acid
CID 20564285
6,7-dimethoxy-2-methylquinolin-4-amine;hydrochloride
CID 91665053
4,6-dichloro-7-methoxyquinoline-2-carboxylic acid
CID 107623316
1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone
CID 14068999
4-amino-6-chloroquinoline-2-carboxylic acid
CID 46398171
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
4,6,7-trimethoxyquinoline-2,3-dicarboxylic acid
CID 19021402
7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid
CID 102942140
7-fluoro-4-methoxy-6-methylquinoline-2-carboxylic acid
CID 102942124
methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate
CID 63376981
2-(dimethylamino)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 84642221
(2-hydroxy-2-methylpropyl) 4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazine-1-carboxylate;hydrate;hydrochloride
CID 70405343

Frequently Asked Questions

What is the IUPAC name of 4-amino-6,7-dimethoxyquinoline-2-carboxylic acid?
The IUPAC name of 4-amino-6,7-dimethoxyquinoline-2-carboxylic acid (CID 84632987) is 4-amino-6,7-dimethoxyquinoline-2-carboxylic acid.
What is the SMILES notation for 4-amino-6,7-dimethoxyquinoline-2-carboxylic acid?
The canonical SMILES for 4-amino-6,7-dimethoxyquinoline-2-carboxylic acid is COc1cc2nc(C(=O)O)cc(N)c2cc1OC.
What is the InChIKey of 4-amino-6,7-dimethoxyquinoline-2-carboxylic acid?
The InChIKey is UBSXMRVZTPRHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-17-10-3-6-7(13)4-9(12(15)16)14-8(6)5-11(10)18-2/h3-5H,1-2H3,(H2,13,14)(H,15,16).
What are the key properties of 4-amino-6,7-dimethoxyquinoline-2-carboxylic acid?
4-amino-6,7-dimethoxyquinoline-2-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6,7-dimethoxyquinoline-2-carboxylic acid is sourced from PubChem (CID 84632987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).