[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone

C17H21N3O — CID 81485630

IUPAC[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
SMILESCNCC1CCCN1C(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C17H21N3O/c1-12-10-15(14-7-3-4-8-16(14)19-12)17(21)20-9-5-6-13(20)11-18-2/h3-4,7-8,10,13,18H,5-6,9,11H2,1-2H3
InChIKeyWDZJQXKGLIUZLD-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.37
Rot. Bonds3

About [2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone

[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone (PubChem CID 81485630) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
PubChem CID81485630
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
SMILESCNCC1CCCN1C(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C17H21N3O/c1-12-10-15(14-7-3-4-8-16(14)19-12)17(21)20-9-5-6-13(20)11-18-2/h3-4,7-8,10,13,18H,5-6,9,11H2,1-2H3
InChIKeyWDZJQXKGLIUZLD-UHFFFAOYSA-N
XLogP2.37
TPSA45.23 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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 72873922
[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone
CID 62173431
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 95329119
(2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 92756294
(2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973317
1H-indol-3-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115316389
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807625
(2-chloroquinolin-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107877398
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119650742
[2-(dimethylamino)quinolin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698521
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119650990
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649125

Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone (CID 81485630) is [2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone.
What is the SMILES notation for [2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The canonical SMILES for [2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone is CNCC1CCCN1C(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of [2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The InChIKey is WDZJQXKGLIUZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-10-15(14-7-3-4-8-16(14)19-12)17(21)20-9-5-6-13(20)11-18-2/h3-4,7-8,10,13,18H,5-6,9,11H2,1-2H3.
What are the key properties of [2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone?
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone has a molecular weight of 283.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 81485630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).