8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide

C23H24N4O4S2 — CID 55559982

IUPAC8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCNS(=O)(=O)c2ccc(C)c3ncccc23)c2cccnc12
InChIInChI=1S/C23H24N4O4S2/c1-16-8-10-20(18-6-3-12-24-22(16)18)32(28,29)26-14-5-15-27-33(30,31)21-11-9-17(2)23-19(21)7-4-13-25-23/h3-4,6-13,26-27H,5,14-15H2,1-2H3
InChIKeyBSJJISNWBSIZLJ-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.05
Rot. Bonds8

About 8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide

8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide (PubChem CID 55559982) has the molecular formula C23H24N4O4S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
PubChem CID55559982
Molecular FormulaC23H24N4O4S2
Molecular Weight484.60 g/mol
Exact Mass484.12
IUPAC Name8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCNS(=O)(=O)c2ccc(C)c3ncccc23)c2cccnc12
InChIInChI=1S/C23H24N4O4S2/c1-16-8-10-20(18-6-3-12-24-22(16)18)32(28,29)26-14-5-15-27-33(30,31)21-11-9-17(2)23-19(21)7-4-13-25-23/h3-4,6-13,26-27H,5,14-15H2,1-2H3
InChIKeyBSJJISNWBSIZLJ-UHFFFAOYSA-N
XLogP3.05
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-methyl-N-(2-pyridin-2-ylethyl)quinoline-5-sulfonamide
CID 134034355
N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591258
2-[(8-methylquinolin-5-yl)sulfonylamino]ethanethioamide
CID 104773629
3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide
CID 104774314
2-[(8-methylquinolin-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 134002702
N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591254
N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide
CID 104774039
N-heptyl-8-methoxyquinoline-5-sulfonamide
CID 594128
N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide
CID 134034376
8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride
CID 119974304
8-methyl-N-(2-piperidin-3-ylethyl)quinoline-5-sulfonamide;hydrochloride
CID 119979483
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-8-methylquinoline-5-sulfonamide
CID 134002347

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide?
The IUPAC name of 8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide (CID 55559982) is 8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide.
What is the SMILES notation for 8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide?
The canonical SMILES for 8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)NCCCNS(=O)(=O)c2ccc(C)c3ncccc23)c2cccnc12.
What is the InChIKey of 8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide?
The InChIKey is BSJJISNWBSIZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S2/c1-16-8-10-20(18-6-3-12-24-22(16)18)32(28,29)26-14-5-15-27-33(30,31)21-11-9-17(2)23-19(21)7-4-13-25-23/h3-4,6-13,26-27H,5,14-15H2,1-2H3.
What are the key properties of 8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide?
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide has a molecular weight of 484.60 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide is sourced from PubChem (CID 55559982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).