2-(2,4-dimethylanilino)quinoline-4-carboxylate

C18H15N2O2- — CID 4166548

IUPAC2-(2,4-dimethylanilino)quinoline-4-carboxylate
SMILESCc1ccc(Nc2cc(C(=O)[O-])c3ccccc3n2)c(C)c1
InChIInChI=1S/C18H16N2O2/c1-11-7-8-15(12(2)9-11)19-17-10-14(18(21)22)13-5-3-4-6-16(13)20-17/h3-10H,1-2H3,(H,19,20)(H,21,22)/p-1
InChIKeyDNOGBKFRTQPPFU-UHFFFAOYSA-M
MW291.33 g/mol
LogP2.96
Rot. Bonds3

About 2-(2,4-dimethylanilino)quinoline-4-carboxylate

2-(2,4-dimethylanilino)quinoline-4-carboxylate (PubChem CID 4166548) has the molecular formula C18H15N2O2- and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)quinoline-4-carboxylate.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)quinoline-4-carboxylate
PubChem CID4166548
Molecular FormulaC18H15N2O2-
Molecular Weight291.33 g/mol
Exact Mass291.11
IUPAC Name2-(2,4-dimethylanilino)quinoline-4-carboxylate
SMILESCc1ccc(Nc2cc(C(=O)[O-])c3ccccc3n2)c(C)c1
InChIInChI=1S/C18H16N2O2/c1-11-7-8-15(12(2)9-11)19-17-10-14(18(21)22)13-5-3-4-6-16(13)20-17/h3-10H,1-2H3,(H,19,20)(H,21,22)/p-1
InChIKeyDNOGBKFRTQPPFU-UHFFFAOYSA-M
XLogP2.96
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990880
N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide
CID 20854533
2-(2,4-dimethylanilino)-N-(2-methylcyclohexyl)quinoline-4-carboxamide
CID 20854538
2-(2,4-dimethoxyanilino)quinoline-4-carboxylate
CID 5070932
2-(2,4-dimethylanilino)quinoline-4-carbonitrile
CID 63883902
2-[[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194892
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-(2-bromo-4-methylphenyl)-4-methylquinolin-2-amine
CID 11537178
4-methyl-1-N-(4-methylquinolin-2-yl)benzene-1,2-diamine
CID 10378080
methyl 4-(2,4-dimethylanilino)quinazoline-2-carboxylate
CID 139207867
2-[3-(trifluoromethyl)anilino]quinoline-4-carboxylate
CID 3503074
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)quinoline-4-carboxylate?
The IUPAC name of 2-(2,4-dimethylanilino)quinoline-4-carboxylate (CID 4166548) is 2-(2,4-dimethylanilino)quinoline-4-carboxylate.
What is the SMILES notation for 2-(2,4-dimethylanilino)quinoline-4-carboxylate?
The canonical SMILES for 2-(2,4-dimethylanilino)quinoline-4-carboxylate is Cc1ccc(Nc2cc(C(=O)[O-])c3ccccc3n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)quinoline-4-carboxylate?
The InChIKey is DNOGBKFRTQPPFU-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H16N2O2/c1-11-7-8-15(12(2)9-11)19-17-10-14(18(21)22)13-5-3-4-6-16(13)20-17/h3-10H,1-2H3,(H,19,20)(H,21,22)/p-1.
What are the key properties of 2-(2,4-dimethylanilino)quinoline-4-carboxylate?
2-(2,4-dimethylanilino)quinoline-4-carboxylate has a molecular weight of 291.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)quinoline-4-carboxylate is sourced from PubChem (CID 4166548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).