1-[3-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine

C16H20ClN3 — CID 63164336

IUPAC1-[3-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2nc3ccccc3cc2CCl)C1
InChIInChI=1S/C16H20ClN3/c1-19(2)14-7-8-20(11-14)16-13(10-17)9-12-5-3-4-6-15(12)18-16/h3-6,9,14H,7-8,10-11H2,1-2H3
InChIKeyBUIJMQJEFAJYHJ-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.11
Rot. Bonds3

About 1-[3-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine

1-[3-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63164336) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[3-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[3-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63164336
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name1-[3-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2nc3ccccc3cc2CCl)C1
InChIInChI=1S/C16H20ClN3/c1-19(2)14-7-8-20(11-14)16-13(10-17)9-12-5-3-4-6-15(12)18-16/h3-6,9,14H,7-8,10-11H2,1-2H3
InChIKeyBUIJMQJEFAJYHJ-UHFFFAOYSA-N
XLogP3.11
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[3-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine (CID 63164336) is 1-[3-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[3-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[3-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(c2nc3ccccc3cc2CCl)C1.
What is the InChIKey of 1-[3-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is BUIJMQJEFAJYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-19(2)14-7-8-20(11-14)16-13(10-17)9-12-5-3-4-6-15(12)18-16/h3-6,9,14H,7-8,10-11H2,1-2H3.
What are the key properties of 1-[3-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine?
1-[3-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 289.81 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63164336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).