6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid

C20H22N4O2 — CID 7719227

IUPAC6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid
SMILESCN(C)c1ccc(Nc2c(C(=O)O)cnc3ccc(N(C)C)cc23)cc1
InChIInChI=1S/C20H22N4O2/c1-23(2)14-7-5-13(6-8-14)22-19-16-11-15(24(3)4)9-10-18(16)21-12-17(19)20(25)26/h5-12H,1-4H3,(H,21,22)(H,25,26)
InChIKeyGCEZCFNXDJJJAD-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.81
Rot. Bonds5

About 6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid

6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid (PubChem CID 7719227) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid
PubChem CID7719227
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid
SMILESCN(C)c1ccc(Nc2c(C(=O)O)cnc3ccc(N(C)C)cc23)cc1
InChIInChI=1S/C20H22N4O2/c1-23(2)14-7-5-13(6-8-14)22-19-16-11-15(24(3)4)9-10-18(16)21-12-17(19)20(25)26/h5-12H,1-4H3,(H,21,22)(H,25,26)
InChIKeyGCEZCFNXDJJJAD-UHFFFAOYSA-N
XLogP3.81
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(dimethylamino)anilino]quinoline-3,6-dicarboxylic acid;hydrochloride
CID 22694130
6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride
CID 20982489
2-[[3-carboxy-6-(dimethylamino)quinolin-4-yl]amino]ethyl-dimethylazanium
CID 7719246
4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid
CID 58173125
4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid
CID 7137766
4-(3-acetylanilino)quinoline-3,6-dicarboxylic acid
CID 91206035
4-(4-carboxyanilino)quinoline-3-carboxylic acid
CID 7719142
4-(4-chloroanilino)quinoline-3-carboxylic acid
CID 63537972
diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate
CID 43617132
5-[4-(dimethylamino)anilino]-2-fluorobenzoic acid
CID 82536536
7-chloro-4-[4-(dimethylamino)anilino]-8-methylquinoline-3-carboxylate
CID 2241668

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid?
The IUPAC name of 6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid (CID 7719227) is 6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid.
What is the SMILES notation for 6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid?
The canonical SMILES for 6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid is CN(C)c1ccc(Nc2c(C(=O)O)cnc3ccc(N(C)C)cc23)cc1.
What is the InChIKey of 6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid?
The InChIKey is GCEZCFNXDJJJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23(2)14-7-5-13(6-8-14)22-19-16-11-15(24(3)4)9-10-18(16)21-12-17(19)20(25)26/h5-12H,1-4H3,(H,21,22)(H,25,26).
What are the key properties of 6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid?
6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid has a molecular weight of 350.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid is sourced from PubChem (CID 7719227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).