N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyridin-2-ylquinoline-4-carboxamide

C26H26N4O3S — CID 4097820

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)ccc1C
InChIInChI=1S/C26H26N4O3S/c1-4-30(5-2)34(32,33)25-16-19(14-13-18(25)3)28-26(31)21-17-24(23-12-8-9-15-27-23)29-22-11-7-6-10-20(21)22/h6-17H,4-5H2,1-3H3,(H,28,31)
InChIKeySAMARKHXVMCVCL-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.89
Rot. Bonds7

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyridin-2-ylquinoline-4-carboxamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 4097820) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID4097820
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)ccc1C
InChIInChI=1S/C26H26N4O3S/c1-4-30(5-2)34(32,33)25-16-19(14-13-18(25)3)28-26(31)21-17-24(23-12-8-9-15-27-23)29-22-11-7-6-10-20(21)22/h6-17H,4-5H2,1-3H3,(H,28,31)
InChIKeySAMARKHXVMCVCL-UHFFFAOYSA-N
XLogP4.89
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyridin-2-ylquinoline-4-carboxamide (CID 4097820) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyridin-2-ylquinoline-4-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is SAMARKHXVMCVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-4-30(5-2)34(32,33)25-16-19(14-13-18(25)3)28-26(31)21-17-24(23-12-8-9-15-27-23)29-22-11-7-6-10-20(21)22/h6-17H,4-5H2,1-3H3,(H,28,31).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyridin-2-ylquinoline-4-carboxamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 4097820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).