[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone

C20H25N3O — CID 95319800

IUPAC[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
SMILESCCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C20H25N3O/c1-2-22-13-5-9-18(22)19-10-6-14-23(19)20(24)17-12-11-15-7-3-4-8-16(15)21-17/h3-4,7-8,11-12,18-19H,2,5-6,9-10,13-14H2,1H3/t18-,19-/m0/s1
InChIKeyOHXRVPGZJIBAHO-OALUTQOASA-N
MW323.44 g/mol
LogP3.32
Rot. Bonds3

About [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone

[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 95319800) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
PubChem CID95319800
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
SMILESCCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C20H25N3O/c1-2-22-13-5-9-18(22)19-10-6-14-23(19)20(24)17-12-11-15-7-3-4-8-16(15)21-17/h3-4,7-8,11-12,18-19H,2,5-6,9-10,13-14H2,1H3/t18-,19-/m0/s1
InChIKeyOHXRVPGZJIBAHO-OALUTQOASA-N
XLogP3.32
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-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

[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 129427982
6-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 95736213
[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 95333903
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95295711
[2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63249558
[2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 63765568
[(2S,3R)-2,3-dimethylthiomorpholin-4-yl]-quinolin-2-ylmethanone
CID 95630049
[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129447811
(2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone
CID 122331673
[(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-2-ylmethanone
CID 98811679
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 95736225
[(4aR,7R,7aS)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-quinolin-2-ylmethanone
CID 124826721

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone (CID 95319800) is [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone is CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1.
What is the InChIKey of [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is OHXRVPGZJIBAHO-OALUTQOASA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-22-13-5-9-18(22)19-10-6-14-23(19)20(24)17-12-11-15-7-3-4-8-16(15)21-17/h3-4,7-8,11-12,18-19H,2,5-6,9-10,13-14H2,1H3/t18-,19-/m0/s1.
What are the key properties of [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone?
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 323.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 95319800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).