6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

C16H20N2 — CID 46890563

IUPAC6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESC[C@@H]1CCCN1CCc1ccc2ncccc2c1
InChIInChI=1S/C16H20N2/c1-13-4-3-10-18(13)11-8-14-6-7-16-15(12-14)5-2-9-17-16/h2,5-7,9,12-13H,3-4,8,10-11H2,1H3/t13-/m1/s1
InChIKeyHUQYUKHHFHNJRR-CYBMUJFWSA-N
MW240.35 g/mol
LogP3.26
Rot. Bonds3

About 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (PubChem CID 46890563) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.

Molecular Properties

Compound Name6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
PubChem CID46890563
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESC[C@@H]1CCCN1CCc1ccc2ncccc2c1
InChIInChI=1S/C16H20N2/c1-13-4-3-10-18(13)11-8-14-6-7-16-15(12-14)5-2-9-17-16/h2,5-7,9,12-13H,3-4,8,10-11H2,1H3/t13-/m1/s1
InChIKeyHUQYUKHHFHNJRR-CYBMUJFWSA-N
XLogP3.26
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The IUPAC name of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (CID 46890563) is 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.
What is the SMILES notation for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The canonical SMILES for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is C[C@@H]1CCCN1CCc1ccc2ncccc2c1.
What is the InChIKey of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The InChIKey is HUQYUKHHFHNJRR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N2/c1-13-4-3-10-18(13)11-8-14-6-7-16-15(12-14)5-2-9-17-16/h2,5-7,9,12-13H,3-4,8,10-11H2,1H3/t13-/m1/s1.
What are the key properties of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline has a molecular weight of 240.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is sourced from PubChem (CID 46890563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).