6,8-dimethyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide

C24H22N4O3S — CID 1257030

IUPAC6,8-dimethyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccccn3)cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c2c1
InChIInChI=1S/C24H22N4O3S/c1-15-11-16(2)23-19(12-15)20(13-22(28-23)21-5-3-4-10-26-21)24(29)27-14-17-6-8-18(9-7-17)32(25,30)31/h3-13H,14H2,1-2H3,(H,27,29)(H2,25,30,31)
InChIKeyGFQHYNGBJJHSEH-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.49
Rot. Bonds5

About 6,8-dimethyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide

6,8-dimethyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide (PubChem CID 1257030) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 6,8-dimethyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6,8-dimethyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
PubChem CID1257030
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name6,8-dimethyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccccn3)cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c2c1
InChIInChI=1S/C24H22N4O3S/c1-15-11-16(2)23-19(12-15)20(13-22(28-23)21-5-3-4-10-26-21)24(29)27-14-17-6-8-18(9-7-17)32(25,30)31/h3-13H,14H2,1-2H3,(H,27,29)(H2,25,30,31)
InChIKeyGFQHYNGBJJHSEH-UHFFFAOYSA-N
XLogP3.49
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 6,8-dimethyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide (CID 1257030) is 6,8-dimethyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 6,8-dimethyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 6,8-dimethyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide is Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c2c1.
What is the InChIKey of 6,8-dimethyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is GFQHYNGBJJHSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-15-11-16(2)23-19(12-15)20(13-22(28-23)21-5-3-4-10-26-21)24(29)27-14-17-6-8-18(9-7-17)32(25,30)31/h3-13H,14H2,1-2H3,(H,27,29)(H2,25,30,31).
What are the key properties of 6,8-dimethyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
6,8-dimethyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 1257030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).