1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-quinolin-8-ylethanone

C17H21N3O — CID 120807977

IUPAC1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-quinolin-8-ylethanone
SMILESCC1(CN)CCN(C(=O)Cc2cccc3cccnc23)C1
InChIInChI=1S/C17H21N3O/c1-17(11-18)7-9-20(12-17)15(21)10-14-5-2-4-13-6-3-8-19-16(13)14/h2-6,8H,7,9-12,18H2,1H3
InChIKeyRAORSKNNXIJTIE-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.97
Rot. Bonds3

About 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-quinolin-8-ylethanone

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-quinolin-8-ylethanone (PubChem CID 120807977) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-quinolin-8-ylethanone.

Molecular Properties

Compound Name1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-quinolin-8-ylethanone
PubChem CID120807977
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-quinolin-8-ylethanone
SMILESCC1(CN)CCN(C(=O)Cc2cccc3cccnc23)C1
InChIInChI=1S/C17H21N3O/c1-17(11-18)7-9-20(12-17)15(21)10-14-5-2-4-13-6-3-8-19-16(13)14/h2-6,8H,7,9-12,18H2,1H3
InChIKeyRAORSKNNXIJTIE-UHFFFAOYSA-N
XLogP1.97
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-quinolin-8-ylethanone with MolForge

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Related Compounds

6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514844
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-ethylphenyl)ethanone
CID 120808109
(3-methyl-1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 120777285
N-[(1-methylcyclopentyl)methyl]-1-quinolin-8-ylmethanamine
CID 63821632
1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone
CID 51320584
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 120809227
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 120804377
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,6-dimethylphenoxy)ethanone;hydrochloride
CID 120810336
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 120805349
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 120809329
ethyl 2-quinolin-8-ylacetate
CID 52562898
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 120809621

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-quinolin-8-ylethanone?
The IUPAC name of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-quinolin-8-ylethanone (CID 120807977) is 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-quinolin-8-ylethanone.
What is the SMILES notation for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-quinolin-8-ylethanone?
The canonical SMILES for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-quinolin-8-ylethanone is CC1(CN)CCN(C(=O)Cc2cccc3cccnc23)C1.
What is the InChIKey of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-quinolin-8-ylethanone?
The InChIKey is RAORSKNNXIJTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(11-18)7-9-20(12-17)15(21)10-14-5-2-4-13-6-3-8-19-16(13)14/h2-6,8H,7,9-12,18H2,1H3.
What are the key properties of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-quinolin-8-ylethanone?
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-quinolin-8-ylethanone has a molecular weight of 283.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-quinolin-8-ylethanone is sourced from PubChem (CID 120807977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).