[3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone

C16H19N3O — CID 114802065

IUPAC[3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone
SMILESNCCC1CCN(C(=O)c2cccc3ncccc23)C1
InChIInChI=1S/C16H19N3O/c17-8-6-12-7-10-19(11-12)16(20)14-3-1-5-15-13(14)4-2-9-18-15/h1-5,9,12H,6-8,10-11,17H2
InChIKeyFGHIZRYWSOMZKI-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.05
Rot. Bonds3

About [3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone

[3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone (PubChem CID 114802065) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone
PubChem CID114802065
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone
SMILESNCCC1CCN(C(=O)c2cccc3ncccc23)C1
InChIInChI=1S/C16H19N3O/c17-8-6-12-7-10-19(11-12)16(20)14-3-1-5-15-13(14)4-2-9-18-15/h1-5,9,12H,6-8,10-11,17H2
InChIKeyFGHIZRYWSOMZKI-UHFFFAOYSA-N
XLogP2.05
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone 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

(3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone
CID 114509956
(3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone
CID 79992741
[3-(2-aminoethyl)pyrrolidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114802128
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
[3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120727378
2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanamine
CID 114802283
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114802012
[3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 120727676
[3-(2-aminoethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 120727463
[4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone
CID 67169614
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone
CID 71934250
(3-bromo-4-methylpiperidin-1-yl)-quinolin-4-ylmethanone
CID 102962196

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone?
The IUPAC name of [3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone (CID 114802065) is [3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone.
What is the SMILES notation for [3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone?
The canonical SMILES for [3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone is NCCC1CCN(C(=O)c2cccc3ncccc23)C1.
What is the InChIKey of [3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone?
The InChIKey is FGHIZRYWSOMZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-8-6-12-7-10-19(11-12)16(20)14-3-1-5-15-13(14)4-2-9-18-15/h1-5,9,12H,6-8,10-11,17H2.
What are the key properties of [3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone?
[3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone has a molecular weight of 269.35 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone is sourced from PubChem (CID 114802065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).