N-[6-(3H-imidazo[4,5-c]quinolin-4-yl)heptyl]methanesulfonamide

C18H24N4O2S — CID 91486876

IUPACN-[6-(3H-imidazo[4,5-c]quinolin-4-yl)heptyl]methanesulfonamide
SMILESCC(CCCCCNS(C)(=O)=O)c1nc2ccccc2c2nc[nH]c12
InChIInChI=1S/C18H24N4O2S/c1-13(8-4-3-7-11-21-25(2,23)24)16-18-17(19-12-20-18)14-9-5-6-10-15(14)22-16/h5-6,9-10,12-13,21H,3-4,7-8,11H2,1-2H3,(H,19,20)
InChIKeyVITZOTKMDYZFCX-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.32
Rot. Bonds8

About N-[6-(3H-imidazo[4,5-c]quinolin-4-yl)heptyl]methanesulfonamide

N-[6-(3H-imidazo[4,5-c]quinolin-4-yl)heptyl]methanesulfonamide (PubChem CID 91486876) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[6-(3H-imidazo[4,5-c]quinolin-4-yl)heptyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(3H-imidazo[4,5-c]quinolin-4-yl)heptyl]methanesulfonamide
PubChem CID91486876
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[6-(3H-imidazo[4,5-c]quinolin-4-yl)heptyl]methanesulfonamide
SMILESCC(CCCCCNS(C)(=O)=O)c1nc2ccccc2c2nc[nH]c12
InChIInChI=1S/C18H24N4O2S/c1-13(8-4-3-7-11-21-25(2,23)24)16-18-17(19-12-20-18)14-9-5-6-10-15(14)22-16/h5-6,9-10,12-13,21H,3-4,7-8,11H2,1-2H3,(H,19,20)
InChIKeyVITZOTKMDYZFCX-UHFFFAOYSA-N
XLogP3.32
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3H-imidazo[4,5-c]quinolin-4-yl)heptyl]methanesulfonamide?
The IUPAC name of N-[6-(3H-imidazo[4,5-c]quinolin-4-yl)heptyl]methanesulfonamide (CID 91486876) is N-[6-(3H-imidazo[4,5-c]quinolin-4-yl)heptyl]methanesulfonamide.
What is the SMILES notation for N-[6-(3H-imidazo[4,5-c]quinolin-4-yl)heptyl]methanesulfonamide?
The canonical SMILES for N-[6-(3H-imidazo[4,5-c]quinolin-4-yl)heptyl]methanesulfonamide is CC(CCCCCNS(C)(=O)=O)c1nc2ccccc2c2nc[nH]c12.
What is the InChIKey of N-[6-(3H-imidazo[4,5-c]quinolin-4-yl)heptyl]methanesulfonamide?
The InChIKey is VITZOTKMDYZFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-13(8-4-3-7-11-21-25(2,23)24)16-18-17(19-12-20-18)14-9-5-6-10-15(14)22-16/h5-6,9-10,12-13,21H,3-4,7-8,11H2,1-2H3,(H,19,20).
What are the key properties of N-[6-(3H-imidazo[4,5-c]quinolin-4-yl)heptyl]methanesulfonamide?
N-[6-(3H-imidazo[4,5-c]quinolin-4-yl)heptyl]methanesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3H-imidazo[4,5-c]quinolin-4-yl)heptyl]methanesulfonamide is sourced from PubChem (CID 91486876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).