6-methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide

C16H14N4O3S — CID 44564773

IUPAC6-methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide
SMILESCS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccnc3)c2c1
InChIInChI=1S/C16H14N4O3S/c1-24(22,23)11-4-5-14-12(7-11)15(13(9-19-14)16(17)21)20-10-3-2-6-18-8-10/h2-9H,1H3,(H2,17,21)(H,19,20)
InChIKeyBTBYOFWNTOWEJF-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.88
Rot. Bonds4

About 6-methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide

6-methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide (PubChem CID 44564773) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 6-methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide
PubChem CID44564773
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name6-methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide
SMILESCS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccnc3)c2c1
InChIInChI=1S/C16H14N4O3S/c1-24(22,23)11-4-5-14-12(7-11)15(13(9-19-14)16(17)21)20-10-3-2-6-18-8-10/h2-9H,1H3,(H2,17,21)(H,19,20)
InChIKeyBTBYOFWNTOWEJF-UHFFFAOYSA-N
XLogP1.88
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-Cyanoanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11406358
3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)-N-(pyridin-4-yl)benzamide
CID 21865580
2-methylsulfonyl-N-quinolin-5-ylbenzamide
CID 2474595
4-(3-Cyanoanilino)-6-methylsulfonylquinoline-3-carboxamide
CID 11314577
4-(3-Chloroanilino)-6-methylsulfonylquinoline-3-carboxamide
CID 11394750
6-(Benzenesulfonyl)-4-(3-cyanoanilino)quinoline-3-carboxamide
CID 11430281
cFMS Receptor Inhibitor III
CID 25021199
4-[3-(Aminomethyl)anilino]-6-methylsulfonylquinoline-3-carboxamide
CID 44564774
4-(3-chloro-N-methylanilino)-6-methylsulfonylquinoline-3-carboxamide
CID 44564844
9-Amino-N-(2-(dimehtylamino)ethyl)-5-(methylsulfonyl)-4-acridinecarboxamide
CID 149735
6-[(butylamino)sulfonyl]-N-cyclopropyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 3509287
6-(Butylsulfamoyl)-N-propyl-2-(pyridin-3-YL)quinoline-4-carboxamide
CID 4642298

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide?
The IUPAC name of 6-methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide (CID 44564773) is 6-methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide.
What is the SMILES notation for 6-methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide?
The canonical SMILES for 6-methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide is CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccnc3)c2c1.
What is the InChIKey of 6-methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide?
The InChIKey is BTBYOFWNTOWEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-24(22,23)11-4-5-14-12(7-11)15(13(9-19-14)16(17)21)20-10-3-2-6-18-8-10/h2-9H,1H3,(H2,17,21)(H,19,20).
What are the key properties of 6-methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide?
6-methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide is sourced from PubChem (CID 44564773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).