2-(dimethylamino)-6,7-dimethoxyquinoline-4-carboxylic acid

C14H16N2O4 — CID 84642221

IUPAC2-(dimethylamino)-6,7-dimethoxyquinoline-4-carboxylic acid
SMILESCOc1cc2nc(N(C)C)cc(C(=O)O)c2cc1OC
InChIInChI=1S/C14H16N2O4/c1-16(2)13-6-9(14(17)18)8-5-11(19-3)12(20-4)7-10(8)15-13/h5-7H,1-4H3,(H,17,18)
InChIKeyZKKSYDYABHHJBM-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.02
Rot. Bonds4

About 2-(dimethylamino)-6,7-dimethoxyquinoline-4-carboxylic acid

2-(dimethylamino)-6,7-dimethoxyquinoline-4-carboxylic acid (PubChem CID 84642221) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(dimethylamino)-6,7-dimethoxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-6,7-dimethoxyquinoline-4-carboxylic acid
PubChem CID84642221
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-(dimethylamino)-6,7-dimethoxyquinoline-4-carboxylic acid
SMILESCOc1cc2nc(N(C)C)cc(C(=O)O)c2cc1OC
InChIInChI=1S/C14H16N2O4/c1-16(2)13-6-9(14(17)18)8-5-11(19-3)12(20-4)7-10(8)15-13/h5-7H,1-4H3,(H,17,18)
InChIKeyZKKSYDYABHHJBM-UHFFFAOYSA-N
XLogP2.02
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6,7-dimethoxyquinoline-4-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-6,7-dimethoxyquinoline-4-carboxylic acid (CID 84642221) is 2-(dimethylamino)-6,7-dimethoxyquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-6,7-dimethoxyquinoline-4-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-6,7-dimethoxyquinoline-4-carboxylic acid is COc1cc2nc(N(C)C)cc(C(=O)O)c2cc1OC.
What is the InChIKey of 2-(dimethylamino)-6,7-dimethoxyquinoline-4-carboxylic acid?
The InChIKey is ZKKSYDYABHHJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-16(2)13-6-9(14(17)18)8-5-11(19-3)12(20-4)7-10(8)15-13/h5-7H,1-4H3,(H,17,18).
What are the key properties of 2-(dimethylamino)-6,7-dimethoxyquinoline-4-carboxylic acid?
2-(dimethylamino)-6,7-dimethoxyquinoline-4-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6,7-dimethoxyquinoline-4-carboxylic acid is sourced from PubChem (CID 84642221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).