N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide

C27H25N7O5S — CID 19518599

IUPACN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)c3ccccc3n2)cn1
InChIInChI=1S/C27H25N7O5S/c1-4-34-16-17(15-28-34)23-13-21(20-7-5-6-8-22(20)30-23)26(35)29-18-9-11-19(12-10-18)40(36,37)33-24-14-25(38-2)32-27(31-24)39-3/h5-16H,4H2,1-3H3,(H,29,35)(H,31,32,33)
InChIKeyLIKILWUKNROGBD-UHFFFAOYSA-N
MW559.61 g/mol
LogP3.98
Rot. Bonds9

About N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19518599) has the molecular formula C27H25N7O5S and a molecular weight of 559.61 g/mol. Its IUPAC name is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19518599
Molecular FormulaC27H25N7O5S
Molecular Weight559.61 g/mol
Exact Mass559.16
IUPAC NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)c3ccccc3n2)cn1
InChIInChI=1S/C27H25N7O5S/c1-4-34-16-17(15-28-34)23-13-21(20-7-5-6-8-22(20)30-23)26(35)29-18-9-11-19(12-10-18)40(36,37)33-24-14-25(38-2)32-27(31-24)39-3/h5-16H,4H2,1-3H3,(H,29,35)(H,31,32,33)
InChIKeyLIKILWUKNROGBD-UHFFFAOYSA-N
XLogP3.98
TPSA150.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.61
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(1-ethylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 19518582
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1076758
2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide
CID 19518645
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 25047643
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526453
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
2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 3672707
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4622213
3-(4-chloropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide
CID 19542060
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512011

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide (CID 19518599) is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide is CCn1cc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)c3ccccc3n2)cn1.
What is the InChIKey of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is LIKILWUKNROGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O5S/c1-4-34-16-17(15-28-34)23-13-21(20-7-5-6-8-22(20)30-23)26(35)29-18-9-11-19(12-10-18)40(36,37)33-24-14-25(38-2)32-27(31-24)39-3/h5-16H,4H2,1-3H3,(H,29,35)(H,31,32,33).
What are the key properties of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide?
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 559.61 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19518599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).