2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline

C16H18ClN3S — CID 103964705

IUPAC2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline
SMILESCSCC(C)Cn1c(CCl)nc2cnc3ccccc3c21
InChIInChI=1S/C16H18ClN3S/c1-11(10-21-2)9-20-15(7-17)19-14-8-18-13-6-4-3-5-12(13)16(14)20/h3-6,8,11H,7,9-10H2,1-2H3
InChIKeyJJVQAIZZGWITNE-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.32
Rot. Bonds5

About 2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline

2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline (PubChem CID 103964705) has the molecular formula C16H18ClN3S and a molecular weight of 319.86 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline
PubChem CID103964705
Molecular FormulaC16H18ClN3S
Molecular Weight319.86 g/mol
Exact Mass319.09
IUPAC Name2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline
SMILESCSCC(C)Cn1c(CCl)nc2cnc3ccccc3c21
InChIInChI=1S/C16H18ClN3S/c1-11(10-21-2)9-20-15(7-17)19-14-8-18-13-6-4-3-5-12(13)16(14)20/h3-6,8,11H,7,9-10H2,1-2H3
InChIKeyJJVQAIZZGWITNE-UHFFFAOYSA-N
XLogP4.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-one
CID 15224432
2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline
CID 104763468
2-(chloromethyl)-1-(3-methylpentan-2-yl)imidazo[4,5-c]quinoline
CID 103964667
2-(chloromethyl)-5-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 81135418
2-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-ol
CID 15224404
2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine
CID 103964573
2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline
CID 103964688
1-(2-methylpropyl)-2-phenoxyimidazo[4,5-c]quinoline
CID 11301561
2-(2-chloroethyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79295045
2-(2-chloroethyl)-1-pentan-3-ylimidazo[4,5-c]quinoline
CID 103964609
7-bromo-2-(chloromethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine
CID 67052287
2-[2-(1-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N-methylacetamide
CID 103964639

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline?
The IUPAC name of 2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline (CID 103964705) is 2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline is CSCC(C)Cn1c(CCl)nc2cnc3ccccc3c21.
What is the InChIKey of 2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline?
The InChIKey is JJVQAIZZGWITNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3S/c1-11(10-21-2)9-20-15(7-17)19-14-8-18-13-6-4-3-5-12(13)16(14)20/h3-6,8,11H,7,9-10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline?
2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline has a molecular weight of 319.86 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 103964705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).