6-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]quinoline

C16H19ClN2 — CID 102784654

IUPAC6-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]quinoline
SMILESCC1CCN(Cc2ccc3ncccc3c2)C1CCl
InChIInChI=1S/C16H19ClN2/c1-12-6-8-19(16(12)10-17)11-13-4-5-15-14(9-13)3-2-7-18-15/h2-5,7,9,12,16H,6,8,10-11H2,1H3
InChIKeyREVDGUIAPWUYJR-UHFFFAOYSA-N
MW274.79 g/mol
LogP3.68
Rot. Bonds3

About 6-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]quinoline

6-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]quinoline (PubChem CID 102784654) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 6-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]quinoline
PubChem CID102784654
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC Name6-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]quinoline
SMILESCC1CCN(Cc2ccc3ncccc3c2)C1CCl
InChIInChI=1S/C16H19ClN2/c1-12-6-8-19(16(12)10-17)11-13-4-5-15-14(9-13)3-2-7-18-15/h2-5,7,9,12,16H,6,8,10-11H2,1H3
InChIKeyREVDGUIAPWUYJR-UHFFFAOYSA-N
XLogP3.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine
CID 102784644
6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline
CID 114682261
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 120908917
6-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]quinoline
CID 82684729
6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline
CID 80673665
[1-(quinolin-6-ylmethyl)piperidin-2-yl]methanamine
CID 43209671
N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide
CID 77036107
N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581089
N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide
CID 77036050
6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline
CID 103885682
[4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine
CID 80504294

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]quinoline?
The IUPAC name of 6-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]quinoline (CID 102784654) is 6-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]quinoline.
What is the SMILES notation for 6-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]quinoline?
The canonical SMILES for 6-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]quinoline is CC1CCN(Cc2ccc3ncccc3c2)C1CCl.
What is the InChIKey of 6-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]quinoline?
The InChIKey is REVDGUIAPWUYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-12-6-8-19(16(12)10-17)11-13-4-5-15-14(9-13)3-2-7-18-15/h2-5,7,9,12,16H,6,8,10-11H2,1H3.
What are the key properties of 6-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]quinoline?
6-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]quinoline has a molecular weight of 274.79 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]quinoline is sourced from PubChem (CID 102784654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).