6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide

C22H17ClN4O3S — CID 2965443

IUPAC6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C22H17ClN4O3S/c1-24-31(29,30)17-7-5-16(6-8-17)26-22(28)19-12-21(14-3-2-10-25-13-14)27-20-9-4-15(23)11-18(19)20/h2-13,24H,1H3,(H,26,28)
InChIKeyXTHGMMDXECMVMX-UHFFFAOYSA-N
MW452.92 g/mol
LogP4.11
Rot. Bonds5

About 6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide

6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 2965443) has the molecular formula C22H17ClN4O3S and a molecular weight of 452.92 g/mol. Its IUPAC name is 6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID2965443
Molecular FormulaC22H17ClN4O3S
Molecular Weight452.92 g/mol
Exact Mass452.07
IUPAC Name6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C22H17ClN4O3S/c1-24-31(29,30)17-7-5-16(6-8-17)26-22(28)19-12-21(14-3-2-10-25-13-14)27-20-9-4-15(23)11-18(19)20/h2-13,24H,1H3,(H,26,28)
InChIKeyXTHGMMDXECMVMX-UHFFFAOYSA-N
XLogP4.11
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25179905
methane;N-[4-(methylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 160607746
6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261484
N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798226
6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261356
methyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate;hydrochloride
CID 2965387
N-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261284
7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 2220481
N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 55868418
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965508

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 2965443) is 6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide is CNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)cc1.
What is the InChIKey of 6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is XTHGMMDXECMVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3S/c1-24-31(29,30)17-7-5-16(6-8-17)26-22(28)19-12-21(14-3-2-10-25-13-14)27-20-9-4-15(23)11-18(19)20/h2-13,24H,1H3,(H,26,28).
What are the key properties of 6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 452.92 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 2965443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).