ethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate

C19H19N3O4S — CID 155927197

IUPACethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1Nc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C19H19N3O4S/c1-3-26-19(23)16-12-20-17-10-5-4-9-15(17)18(16)21-13-7-6-8-14(11-13)22-27(2,24)25/h4-12,22H,3H2,1-2H3,(H,20,21)
InChIKeyZAXWFSSGAMZORJ-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.53
Rot. Bonds6

About ethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate

ethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate (PubChem CID 155927197) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is ethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate
PubChem CID155927197
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Nameethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1Nc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C19H19N3O4S/c1-3-26-19(23)16-12-20-17-10-5-4-9-15(17)18(16)21-13-7-6-8-14(11-13)22-27(2,24)25/h4-12,22H,3H2,1-2H3,(H,20,21)
InChIKeyZAXWFSSGAMZORJ-UHFFFAOYSA-N
XLogP3.53
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
CID 709089
ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate
CID 66715927
ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate
CID 102267989
ethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate
CID 23731775
diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
3-[(6-ethoxy-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid
CID 1187193
ethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate
CID 23848765
ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate
CID 700745
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
3-[(3-ethoxycarbonyl-6-methoxyquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790549
ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate
CID 23734415

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate (CID 155927197) is ethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1Nc1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of ethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate?
The InChIKey is ZAXWFSSGAMZORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-3-26-19(23)16-12-20-17-10-5-4-9-15(17)18(16)21-13-7-6-8-14(11-13)22-27(2,24)25/h4-12,22H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate?
ethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate has a molecular weight of 385.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate is sourced from PubChem (CID 155927197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).