2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine

C16H21N3O — CID 103540590

IUPAC2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine
SMILESCOC1CCN(c2nc3ccccc3cc2CCN)C1
InChIInChI=1S/C16H21N3O/c1-20-14-7-9-19(11-14)16-13(6-8-17)10-12-4-2-3-5-15(12)18-16/h2-5,10,14H,6-9,11,17H2,1H3
InChIKeyDYCDEJMNMIKOSA-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.96
Rot. Bonds4

About 2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine

2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine (PubChem CID 103540590) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine
PubChem CID103540590
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine
SMILESCOC1CCN(c2nc3ccccc3cc2CCN)C1
InChIInChI=1S/C16H21N3O/c1-20-14-7-9-19(11-14)16-13(6-8-17)10-12-4-2-3-5-15(12)18-16/h2-5,10,14H,6-9,11,17H2,1H3
InChIKeyDYCDEJMNMIKOSA-UHFFFAOYSA-N
XLogP1.96
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63786167
N'-hydroxy-2-(3-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide
CID 103533970
2-(3-methoxypiperidin-1-yl)quinoline-3-carbaldehyde
CID 102959210
N-ethyl-3-[(3-methoxypyrrolidin-1-yl)methyl]quinolin-2-amine
CID 103538578
[4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine
CID 114961620
1-[3-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63164336
(3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol
CID 56884115
1-[3-(bromomethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 107083281
[2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 103530731
[2-[4-(3,5-dimethoxyanilino)piperidin-1-yl]quinolin-3-yl]methanol
CID 133337541
2-[2-(3-ethylmorpholin-4-yl)quinolin-3-yl]ethanamine
CID 63782736
2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol
CID 75421713

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine?
The IUPAC name of 2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine (CID 103540590) is 2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine?
The canonical SMILES for 2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine is COC1CCN(c2nc3ccccc3cc2CCN)C1.
What is the InChIKey of 2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine?
The InChIKey is DYCDEJMNMIKOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-14-7-9-19(11-14)16-13(6-8-17)10-12-4-2-3-5-15(12)18-16/h2-5,10,14H,6-9,11,17H2,1H3.
What are the key properties of 2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine?
2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine is sourced from PubChem (CID 103540590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).