2-(dimethylamino)quinoline-4-carboxylic acid

C12H12N2O2 — CID 43154788

IUPAC2-(dimethylamino)quinoline-4-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C12H12N2O2/c1-14(2)11-7-9(12(15)16)8-5-3-4-6-10(8)13-11/h3-7H,1-2H3,(H,15,16)
InChIKeyNGJFDFAIRAKMPJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.00
Rot. Bonds2

About 2-(dimethylamino)quinoline-4-carboxylic acid

2-(dimethylamino)quinoline-4-carboxylic acid (PubChem CID 43154788) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(dimethylamino)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)quinoline-4-carboxylic acid
PubChem CID43154788
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(dimethylamino)quinoline-4-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C12H12N2O2/c1-14(2)11-7-9(12(15)16)8-5-3-4-6-10(8)13-11/h3-7H,1-2H3,(H,15,16)
InChIKeyNGJFDFAIRAKMPJ-UHFFFAOYSA-N
XLogP2.00
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)quinoline-4-carboxylic acid?
The IUPAC name of 2-(dimethylamino)quinoline-4-carboxylic acid (CID 43154788) is 2-(dimethylamino)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)quinoline-4-carboxylic acid is CN(C)c1cc(C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-(dimethylamino)quinoline-4-carboxylic acid?
The InChIKey is NGJFDFAIRAKMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-14(2)11-7-9(12(15)16)8-5-3-4-6-10(8)13-11/h3-7H,1-2H3,(H,15,16).
What are the key properties of 2-(dimethylamino)quinoline-4-carboxylic acid?
2-(dimethylamino)quinoline-4-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)quinoline-4-carboxylic acid is sourced from PubChem (CID 43154788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).