6-bromo-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide

C22H17BrN4O3S — CID 1256976

IUPAC6-bromo-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(Br)cc23)cc1
InChIInChI=1S/C22H17BrN4O3S/c23-16-5-8-20-18(10-16)19(11-21(27-20)15-2-1-9-25-13-15)22(28)26-12-14-3-6-17(7-4-14)31(24,29)30/h1-11,13H,12H2,(H,26,28)(H2,24,29,30)
InChIKeyDTJUYNPPFXNTJN-UHFFFAOYSA-N
MW497.37 g/mol
LogP3.64
Rot. Bonds5

About 6-bromo-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide

6-bromo-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide (PubChem CID 1256976) has the molecular formula C22H17BrN4O3S and a molecular weight of 497.37 g/mol. Its IUPAC name is 6-bromo-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
PubChem CID1256976
Molecular FormulaC22H17BrN4O3S
Molecular Weight497.37 g/mol
Exact Mass496.02
IUPAC Name6-bromo-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(Br)cc23)cc1
InChIInChI=1S/C22H17BrN4O3S/c23-16-5-8-20-18(10-16)19(11-21(27-20)15-2-1-9-25-13-15)22(28)26-12-14-3-6-17(7-4-14)31(24,29)30/h1-11,13H,12H2,(H,26,28)(H2,24,29,30)
InChIKeyDTJUYNPPFXNTJN-UHFFFAOYSA-N
XLogP3.64
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4877448
6-bromo-2-(4-methylphenyl)-N-(pyridin-3-yl)quinoline-4-carboxamide
CID 2220526
2-(3-bromophenyl)-N-(pyridin-4-yl)quinoline-4-carboxamide
CID 5182253
4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-quinolin-7-ylethyl)benzamide
CID 71449439
N-(4-Bromo-phenyl)-3-(quinolin-3-ylsulfamoyl)-benzamide
CID 1105118
6,8-dimethyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1257030
6-Bromo-4-{[4-(methylsulfonyl)-1-piperazinyl]carbonyl}-2-(3-pyridinyl)quinoline
CID 1257108
6-bromo-N-[2-(methylthio)phenyl]-2-(3-pyridinyl)-4-quinolinecarboxamide
CID 1261749
6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide
CID 1261800
6-bromo-N-[4-(methylsulfamoyl)phenyl]-2-(pyridin-3-yl)quinoline-4-carboxamide
CID 1261827
6-Bromo-4-[(4-ethyl-1-piperazinyl)carbonyl]-2-(3-pyridinyl)quinoline
CID 1261950
2-(3-bromophenyl)-N-(pyridin-3-yl)quinoline-4-carboxamide
CID 1290197

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide (CID 1256976) is 6-bromo-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(Br)cc23)cc1.
What is the InChIKey of 6-bromo-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is DTJUYNPPFXNTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O3S/c23-16-5-8-20-18(10-16)19(11-21(27-20)15-2-1-9-25-13-15)22(28)26-12-14-3-6-17(7-4-14)31(24,29)30/h1-11,13H,12H2,(H,26,28)(H2,24,29,30).
What are the key properties of 6-bromo-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
6-bromo-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 497.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 1256976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).