2-methyl-1-(5-methylsulfonylpentyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine

C17H26N4O2S — CID 22320424

IUPAC2-methyl-1-(5-methylsulfonylpentyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine
SMILESCc1nc2c(N)nc3c(c2n1CCCCCS(C)(=O)=O)CCCC3
InChIInChI=1S/C17H26N4O2S/c1-12-19-15-16(13-8-4-5-9-14(13)20-17(15)18)21(12)10-6-3-7-11-24(2,22)23/h3-11H2,1-2H3,(H2,18,20)
InChIKeyZKMNULSMTJUFLO-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.42
Rot. Bonds6

About 2-methyl-1-(5-methylsulfonylpentyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine

2-methyl-1-(5-methylsulfonylpentyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine (PubChem CID 22320424) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-methyl-1-(5-methylsulfonylpentyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-1-(5-methylsulfonylpentyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine
PubChem CID22320424
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name2-methyl-1-(5-methylsulfonylpentyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine
SMILESCc1nc2c(N)nc3c(c2n1CCCCCS(C)(=O)=O)CCCC3
InChIInChI=1S/C17H26N4O2S/c1-12-19-15-16(13-8-4-5-9-14(13)20-17(15)18)21(12)10-6-3-7-11-24(2,22)23/h3-11H2,1-2H3,(H2,18,20)
InChIKeyZKMNULSMTJUFLO-UHFFFAOYSA-N
XLogP2.42
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-methyl-1-(5-methylsulfonylpentyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-methyl-1-(5-methylsulfonylpentyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine (CID 22320424) is 2-methyl-1-(5-methylsulfonylpentyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-methyl-1-(5-methylsulfonylpentyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-methyl-1-(5-methylsulfonylpentyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine is Cc1nc2c(N)nc3c(c2n1CCCCCS(C)(=O)=O)CCCC3.
What is the InChIKey of 2-methyl-1-(5-methylsulfonylpentyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine?
The InChIKey is ZKMNULSMTJUFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-12-19-15-16(13-8-4-5-9-14(13)20-17(15)18)21(12)10-6-3-7-11-24(2,22)23/h3-11H2,1-2H3,(H2,18,20).
What are the key properties of 2-methyl-1-(5-methylsulfonylpentyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine?
2-methyl-1-(5-methylsulfonylpentyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine has a molecular weight of 350.49 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methylsulfonylpentyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 22320424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).