2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline

C17H21N3S — CID 22320512

IUPAC2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline
SMILESCSCCCCCn1c(C)nc2cnc3ccccc3c21
InChIInChI=1S/C17H21N3S/c1-13-19-16-12-18-15-9-5-4-8-14(15)17(16)20(13)10-6-3-7-11-21-2/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3
InChIKeyNVYVBLQKYZPECR-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.43
Rot. Bonds6

About 2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline

2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline (PubChem CID 22320512) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline
PubChem CID22320512
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline
SMILESCSCCCCCn1c(C)nc2cnc3ccccc3c21
InChIInChI=1S/C17H21N3S/c1-13-19-16-12-18-15-9-5-4-8-14(15)17(16)20(13)10-6-3-7-11-21-2/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3
InChIKeyNVYVBLQKYZPECR-UHFFFAOYSA-N
XLogP4.43
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
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 2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline?
The IUPAC name of 2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline (CID 22320512) is 2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline is CSCCCCCn1c(C)nc2cnc3ccccc3c21.
What is the InChIKey of 2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline?
The InChIKey is NVYVBLQKYZPECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-13-19-16-12-18-15-9-5-4-8-14(15)17(16)20(13)10-6-3-7-11-21-2/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3.
What are the key properties of 2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline?
2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline has a molecular weight of 299.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 22320512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).