2-(chloromethyl)-1-(3-methylpentan-2-yl)imidazo[4,5-c]quinoline

C17H20ClN3 — CID 103964667

IUPAC2-(chloromethyl)-1-(3-methylpentan-2-yl)imidazo[4,5-c]quinoline
SMILESCCC(C)C(C)n1c(CCl)nc2cnc3ccccc3c21
InChIInChI=1S/C17H20ClN3/c1-4-11(2)12(3)21-16(9-18)20-15-10-19-14-8-6-5-7-13(14)17(15)21/h5-8,10-12H,4,9H2,1-3H3
InChIKeyJJKGWQAKUPVTNI-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.93
Rot. Bonds4

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

2-(chloromethyl)-1-(3-methylpentan-2-yl)imidazo[4,5-c]quinoline (PubChem CID 103964667) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(3-methylpentan-2-yl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-(chloromethyl)-1-(3-methylpentan-2-yl)imidazo[4,5-c]quinoline
PubChem CID103964667
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name2-(chloromethyl)-1-(3-methylpentan-2-yl)imidazo[4,5-c]quinoline
SMILESCCC(C)C(C)n1c(CCl)nc2cnc3ccccc3c21
InChIInChI=1S/C17H20ClN3/c1-4-11(2)12(3)21-16(9-18)20-15-10-19-14-8-6-5-7-13(14)17(15)21/h5-8,10-12H,4,9H2,1-3H3
InChIKeyJJKGWQAKUPVTNI-UHFFFAOYSA-N
XLogP4.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-1-pentan-3-ylimidazo[4,5-c]quinoline
CID 103964609
7-chloro-2-(chloromethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 63545399
2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline
CID 103964705
2-(1-chloroethyl)-1-(3-methylbutan-2-yl)imidazo[4,5-c]quinoline
CID 103964624
2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline
CID 104763468
2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline
CID 103964688
2-ethyl-1-methoxyimidazo[4,5-c]quinoline
CID 67506760
6-chloro-2-(chloromethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 115471186
2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine
CID 79294516
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinoline
CID 118146486
1-(4-methoxybutan-2-yl)imidazo[4,5-c]quinolin-2-amine
CID 103964526
2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine
CID 103964573

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(3-methylpentan-2-yl)imidazo[4,5-c]quinoline?
The IUPAC name of 2-(chloromethyl)-1-(3-methylpentan-2-yl)imidazo[4,5-c]quinoline (CID 103964667) is 2-(chloromethyl)-1-(3-methylpentan-2-yl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 2-(chloromethyl)-1-(3-methylpentan-2-yl)imidazo[4,5-c]quinoline?
The canonical SMILES for 2-(chloromethyl)-1-(3-methylpentan-2-yl)imidazo[4,5-c]quinoline is CCC(C)C(C)n1c(CCl)nc2cnc3ccccc3c21.
What is the InChIKey of 2-(chloromethyl)-1-(3-methylpentan-2-yl)imidazo[4,5-c]quinoline?
The InChIKey is JJKGWQAKUPVTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-4-11(2)12(3)21-16(9-18)20-15-10-19-14-8-6-5-7-13(14)17(15)21/h5-8,10-12H,4,9H2,1-3H3.
What are the key properties of 2-(chloromethyl)-1-(3-methylpentan-2-yl)imidazo[4,5-c]quinoline?
2-(chloromethyl)-1-(3-methylpentan-2-yl)imidazo[4,5-c]quinoline has a molecular weight of 301.82 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(3-methylpentan-2-yl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 103964667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).