8-(dimethylamino)quinoline-3-carboxylic acid

C12H12N2O2 — CID 105469716

IUPAC8-(dimethylamino)quinoline-3-carboxylic acid
SMILESCN(C)c1cccc2cc(C(=O)O)cnc12
InChIInChI=1S/C12H12N2O2/c1-14(2)10-5-3-4-8-6-9(12(15)16)7-13-11(8)10/h3-7H,1-2H3,(H,15,16)
InChIKeyKZTHAGXBACDPME-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.00
Rot. Bonds2

About 8-(dimethylamino)quinoline-3-carboxylic acid

8-(dimethylamino)quinoline-3-carboxylic acid (PubChem CID 105469716) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 8-(dimethylamino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-(dimethylamino)quinoline-3-carboxylic acid
PubChem CID105469716
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name8-(dimethylamino)quinoline-3-carboxylic acid
SMILESCN(C)c1cccc2cc(C(=O)O)cnc12
InChIInChI=1S/C12H12N2O2/c1-14(2)10-5-3-4-8-6-9(12(15)16)7-13-11(8)10/h3-7H,1-2H3,(H,15,16)
InChIKeyKZTHAGXBACDPME-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

Analyze 8-(dimethylamino)quinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-bromoquinoline-3-carboxylic acid;hydrate
CID 71710960
8-methylsulfanylquinoline-3-carboxylic acid
CID 126609848
8-fluoroquinoline-3-carboxylic acid;hydrate
CID 90668422
8-methyl-1,6-naphthyridine-3-carboxylic acid
CID 55271448
1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
8-[(2,6-difluorophenyl)methoxy]quinoline-3-carboxylic acid
CID 118870240
8-(4,4-difluorocyclohexen-1-yl)quinoline-3-carboxylic acid;ethane
CID 169199637
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
1H-pyrrolo[3,2-h]quinoline-7-carboxylic acid
CID 96613315
7,8-dihydro-1,7-phenanthroline-3-carboxylic acid
CID 70579322
2,3-bis(dimethylamino)benzoic acid
CID 19707647
6,8-difluoroquinoline-3-carboxylic acid
CID 22452302

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)quinoline-3-carboxylic acid?
The IUPAC name of 8-(dimethylamino)quinoline-3-carboxylic acid (CID 105469716) is 8-(dimethylamino)quinoline-3-carboxylic acid.
What is the SMILES notation for 8-(dimethylamino)quinoline-3-carboxylic acid?
The canonical SMILES for 8-(dimethylamino)quinoline-3-carboxylic acid is CN(C)c1cccc2cc(C(=O)O)cnc12.
What is the InChIKey of 8-(dimethylamino)quinoline-3-carboxylic acid?
The InChIKey is KZTHAGXBACDPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-14(2)10-5-3-4-8-6-9(12(15)16)7-13-11(8)10/h3-7H,1-2H3,(H,15,16).
What are the key properties of 8-(dimethylamino)quinoline-3-carboxylic acid?
8-(dimethylamino)quinoline-3-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 8-(dimethylamino)quinoline-3-carboxylic acid is sourced from PubChem (CID 105469716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).