2-(1-ethylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide

C25H21N7O3S — CID 19518582

IUPAC2-(1-ethylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c3ccccc3n2)cn1
InChIInChI=1S/C25H21N7O3S/c1-2-32-16-17(15-28-32)23-14-21(20-6-3-4-7-22(20)30-23)24(33)29-18-8-10-19(11-9-18)36(34,35)31-25-26-12-5-13-27-25/h3-16H,2H2,1H3,(H,29,33)(H,26,27,31)
InChIKeyJASCDCYNBXIPOJ-UHFFFAOYSA-N
MW499.56 g/mol
LogP3.96
Rot. Bonds7

About 2-(1-ethylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide

2-(1-ethylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide (PubChem CID 19518582) has the molecular formula C25H21N7O3S and a molecular weight of 499.56 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
PubChem CID19518582
Molecular FormulaC25H21N7O3S
Molecular Weight499.56 g/mol
Exact Mass499.14
IUPAC Name2-(1-ethylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c3ccccc3n2)cn1
InChIInChI=1S/C25H21N7O3S/c1-2-32-16-17(15-28-32)23-14-21(20-6-3-4-7-22(20)30-23)24(33)29-18-8-10-19(11-9-18)36(34,35)31-25-26-12-5-13-27-25/h3-16H,2H2,1H3,(H,29,33)(H,26,27,31)
InChIKeyJASCDCYNBXIPOJ-UHFFFAOYSA-N
XLogP3.96
TPSA131.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1292635
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518599
2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide
CID 19518645
2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
CID 7017788
N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786
2-(1-ethylpyrazol-4-yl)-N-(2-hydroxyphenyl)quinoline-4-carboxamide
CID 19518526
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512011
N-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518625
2-(1-ethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide
CID 19518695
N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 21227643
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518679
methane;N-[4-(methylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 160607746

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide (CID 19518582) is 2-(1-ethylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide is CCn1cc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c3ccccc3n2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The InChIKey is JASCDCYNBXIPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O3S/c1-2-32-16-17(15-28-32)23-14-21(20-6-3-4-7-22(20)30-23)24(33)29-18-8-10-19(11-9-18)36(34,35)31-25-26-12-5-13-27-25/h3-16H,2H2,1H3,(H,29,33)(H,26,27,31).
What are the key properties of 2-(1-ethylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
2-(1-ethylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide has a molecular weight of 499.56 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 19518582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).