ethyl 6-chloro-4-[4-(pyridin-3-ylmethylsulfamoyl)anilino]quinoline-3-carboxylate

C24H21ClN4O4S — CID 17016661

IUPACethyl 6-chloro-4-[4-(pyridin-3-ylmethylsulfamoyl)anilino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1
InChIInChI=1S/C24H21ClN4O4S/c1-2-33-24(30)21-15-27-22-10-5-17(25)12-20(22)23(21)29-18-6-8-19(9-7-18)34(31,32)28-14-16-4-3-11-26-13-16/h3-13,15,28H,2,14H2,1H3,(H,27,29)
InChIKeyCFUWVLXUJSIEEK-UHFFFAOYSA-N
MW496.98 g/mol
LogP4.68
Rot. Bonds8

About ethyl 6-chloro-4-[4-(pyridin-3-ylmethylsulfamoyl)anilino]quinoline-3-carboxylate

ethyl 6-chloro-4-[4-(pyridin-3-ylmethylsulfamoyl)anilino]quinoline-3-carboxylate (PubChem CID 17016661) has the molecular formula C24H21ClN4O4S and a molecular weight of 496.98 g/mol. Its IUPAC name is ethyl 6-chloro-4-[4-(pyridin-3-ylmethylsulfamoyl)anilino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-[4-(pyridin-3-ylmethylsulfamoyl)anilino]quinoline-3-carboxylate
PubChem CID17016661
Molecular FormulaC24H21ClN4O4S
Molecular Weight496.98 g/mol
Exact Mass496.10
IUPAC Nameethyl 6-chloro-4-[4-(pyridin-3-ylmethylsulfamoyl)anilino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1
InChIInChI=1S/C24H21ClN4O4S/c1-2-33-24(30)21-15-27-22-10-5-17(25)12-20(22)23(21)29-18-6-8-19(9-7-18)34(31,32)28-14-16-4-3-11-26-13-16/h3-13,15,28H,2,14H2,1H3,(H,27,29)
InChIKeyCFUWVLXUJSIEEK-UHFFFAOYSA-N
XLogP4.68
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.98
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 6-chloro-4-[4-(pyridin-3-ylmethylsulfamoyl)anilino]quinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 4-(4-aminoanilino)-6-chloroquinoline-3-carboxylate
CID 66715427
ethyl 6-chloro-4-(2-phenylhydrazinyl)quinoline-3-carboxylate
CID 17016638
ethyl 4-(5-acetamido-2-chloroanilino)-6-chloroquinoline-3-carboxylate
CID 17016659
ethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate
CID 23848765
ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate
CID 102267989
diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
ethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate
CID 1082995
6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride
CID 20982491
diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate
CID 23878770
ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate
CID 1180834
ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate
CID 22333888
ethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate
CID 169258410

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-[4-(pyridin-3-ylmethylsulfamoyl)anilino]quinoline-3-carboxylate?
The IUPAC name of ethyl 6-chloro-4-[4-(pyridin-3-ylmethylsulfamoyl)anilino]quinoline-3-carboxylate (CID 17016661) is ethyl 6-chloro-4-[4-(pyridin-3-ylmethylsulfamoyl)anilino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-[4-(pyridin-3-ylmethylsulfamoyl)anilino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-[4-(pyridin-3-ylmethylsulfamoyl)anilino]quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1.
What is the InChIKey of ethyl 6-chloro-4-[4-(pyridin-3-ylmethylsulfamoyl)anilino]quinoline-3-carboxylate?
The InChIKey is CFUWVLXUJSIEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4S/c1-2-33-24(30)21-15-27-22-10-5-17(25)12-20(22)23(21)29-18-6-8-19(9-7-18)34(31,32)28-14-16-4-3-11-26-13-16/h3-13,15,28H,2,14H2,1H3,(H,27,29).
What are the key properties of ethyl 6-chloro-4-[4-(pyridin-3-ylmethylsulfamoyl)anilino]quinoline-3-carboxylate?
ethyl 6-chloro-4-[4-(pyridin-3-ylmethylsulfamoyl)anilino]quinoline-3-carboxylate has a molecular weight of 496.98 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-[4-(pyridin-3-ylmethylsulfamoyl)anilino]quinoline-3-carboxylate is sourced from PubChem (CID 17016661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).