ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate

C21H22N2O3 — CID 1187166

IUPACethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccccc1C
InChIInChI=1S/C21H22N2O3/c1-4-25-15-10-11-19-16(12-15)20(17(13-22-19)21(24)26-5-2)23-18-9-7-6-8-14(18)3/h6-13H,4-5H2,1-3H3,(H,22,23)
InChIKeyIJBZQGPTKOIVKQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.86
Rot. Bonds6

About ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate

ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate (PubChem CID 1187166) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate
PubChem CID1187166
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Nameethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccccc1C
InChIInChI=1S/C21H22N2O3/c1-4-25-15-10-11-19-16(12-15)20(17(13-22-19)21(24)26-5-2)23-18-9-7-6-8-14(18)3/h6-13H,4-5H2,1-3H3,(H,22,23)
InChIKeyIJBZQGPTKOIVKQ-UHFFFAOYSA-N
XLogP4.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 22333887
3-[(6-ethoxy-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid
CID 1187193
ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate
CID 22333888
ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 705522
6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 4053129
3-O-ethyl 6-O-propan-2-yl 4-(2,3-dimethylanilino)quinoline-3,6-dicarboxylate
CID 17016475
3-O-ethyl 6-O-methyl 4-(2-ethylanilino)quinoline-3,6-dicarboxylate
CID 1187581
ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate
CID 696570
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439
[3-butanoyl-4-(2-methylanilino)quinolin-6-yl]methyl benzoate
CID 19923006

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate (CID 1187166) is ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccccc1C.
What is the InChIKey of ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate?
The InChIKey is IJBZQGPTKOIVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-25-15-10-11-19-16(12-15)20(17(13-22-19)21(24)26-5-2)23-18-9-7-6-8-14(18)3/h6-13H,4-5H2,1-3H3,(H,22,23).
What are the key properties of ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate?
ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate is sourced from PubChem (CID 1187166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).