4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid

C19H18N2O2 — CID 7719183

IUPAC4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid
SMILESCc1ccc(Nc2cc(C)nc3ccc(C(=O)O)cc23)c(C)c1
InChIInChI=1S/C19H18N2O2/c1-11-4-6-16(12(2)8-11)21-18-9-13(3)20-17-7-5-14(19(22)23)10-15(17)18/h4-10H,1-3H3,(H,20,21)(H,22,23)
InChIKeyKJIPKTUCBXSIAH-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.60
Rot. Bonds3

About 4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid

4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid (PubChem CID 7719183) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid
PubChem CID7719183
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid
SMILESCc1ccc(Nc2cc(C)nc3ccc(C(=O)O)cc23)c(C)c1
InChIInChI=1S/C19H18N2O2/c1-11-4-6-16(12(2)8-11)21-18-9-13(3)20-17-7-5-14(19(22)23)10-15(17)18/h4-10H,1-3H3,(H,20,21)(H,22,23)
InChIKeyKJIPKTUCBXSIAH-UHFFFAOYSA-N
XLogP4.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dimethylanilino)-3-methylbenzoic acid
CID 55225092
4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate
CID 4257239
methyl 4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate
CID 730958
4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 16876467
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid
CID 7137915
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid
CID 7138021
4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid
CID 7138098
sodium;4-[2-(dimethylamino)ethylamino]-2-methylquinoline-6-carboxylic acid;hydroxide
CID 172712956
4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride
CID 139269662
N-(4-iodophenyl)-2,6-dimethylquinolin-4-amine
CID 1184486

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid?
The IUPAC name of 4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid (CID 7719183) is 4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid.
What is the SMILES notation for 4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid?
The canonical SMILES for 4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid is Cc1ccc(Nc2cc(C)nc3ccc(C(=O)O)cc23)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid?
The InChIKey is KJIPKTUCBXSIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-11-4-6-16(12(2)8-11)21-18-9-13(3)20-17-7-5-14(19(22)23)10-15(17)18/h4-10H,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid?
4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid is sourced from PubChem (CID 7719183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).