4-(dimethylamino)quinoline-2-carboxylic acid

C12H12N2O2 — CID 59264529

IUPAC4-(dimethylamino)quinoline-2-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C12H12N2O2/c1-14(2)11-7-10(12(15)16)13-9-6-4-3-5-8(9)11/h3-7H,1-2H3,(H,15,16)
InChIKeyKPHFFKJCJLJIPB-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.00
Rot. Bonds2

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

4-(dimethylamino)quinoline-2-carboxylic acid (PubChem CID 59264529) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(dimethylamino)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylamino)quinoline-2-carboxylic acid
PubChem CID59264529
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-(dimethylamino)quinoline-2-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C12H12N2O2/c1-14(2)11-7-10(12(15)16)13-9-6-4-3-5-8(9)11/h3-7H,1-2H3,(H,15,16)
InChIKeyKPHFFKJCJLJIPB-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 4-(dimethylamino)quinoline-2-carboxylic acid?
The IUPAC name of 4-(dimethylamino)quinoline-2-carboxylic acid (CID 59264529) is 4-(dimethylamino)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-(dimethylamino)quinoline-2-carboxylic acid?
The canonical SMILES for 4-(dimethylamino)quinoline-2-carboxylic acid is CN(C)c1cc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-(dimethylamino)quinoline-2-carboxylic acid?
The InChIKey is KPHFFKJCJLJIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-14(2)11-7-10(12(15)16)13-9-6-4-3-5-8(9)11/h3-7H,1-2H3,(H,15,16).
What are the key properties of 4-(dimethylamino)quinoline-2-carboxylic acid?
4-(dimethylamino)quinoline-2-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 4-(dimethylamino)quinoline-2-carboxylic acid is sourced from PubChem (CID 59264529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).