1-(2-benzylpyrrolidin-1-yl)-2-quinolin-8-ylethanone

C22H22N2O — CID 51338069

IUPAC1-(2-benzylpyrrolidin-1-yl)-2-quinolin-8-ylethanone
SMILESO=C(Cc1cccc2cccnc12)N1CCCC1Cc1ccccc1
InChIInChI=1S/C22H22N2O/c25-21(16-19-10-4-9-18-11-5-13-23-22(18)19)24-14-6-12-20(24)15-17-7-2-1-3-8-17/h1-5,7-11,13,20H,6,12,14-16H2
InChIKeyAYGXFERHEJSBAV-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.01
Rot. Bonds4

About 1-(2-benzylpyrrolidin-1-yl)-2-quinolin-8-ylethanone

1-(2-benzylpyrrolidin-1-yl)-2-quinolin-8-ylethanone (PubChem CID 51338069) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(2-benzylpyrrolidin-1-yl)-2-quinolin-8-ylethanone.

Molecular Properties

Compound Name1-(2-benzylpyrrolidin-1-yl)-2-quinolin-8-ylethanone
PubChem CID51338069
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name1-(2-benzylpyrrolidin-1-yl)-2-quinolin-8-ylethanone
SMILESO=C(Cc1cccc2cccnc12)N1CCCC1Cc1ccccc1
InChIInChI=1S/C22H22N2O/c25-21(16-19-10-4-9-18-11-5-13-23-22(18)19)24-14-6-12-20(24)15-17-7-2-1-3-8-17/h1-5,7-11,13,20H,6,12,14-16H2
InChIKeyAYGXFERHEJSBAV-UHFFFAOYSA-N
XLogP4.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-benzylpyrrolidin-1-yl)-2-quinolin-8-ylethanone 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-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978384
1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-quinolin-8-ylethanone
CID 92626852
1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-quinolin-8-ylethanone
CID 92626853
7-amino-1-(2-benzylpyrrolidin-1-yl)heptan-1-one
CID 60940295
1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone
CID 51320584
2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone
CID 79854779
2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119701682
2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 55616121
3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one
CID 51336494
1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone
CID 109006353
1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid
CID 43440675
1-[2-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidin-1-yl]pent-4-en-1-one
CID 45191112

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylpyrrolidin-1-yl)-2-quinolin-8-ylethanone?
The IUPAC name of 1-(2-benzylpyrrolidin-1-yl)-2-quinolin-8-ylethanone (CID 51338069) is 1-(2-benzylpyrrolidin-1-yl)-2-quinolin-8-ylethanone.
What is the SMILES notation for 1-(2-benzylpyrrolidin-1-yl)-2-quinolin-8-ylethanone?
The canonical SMILES for 1-(2-benzylpyrrolidin-1-yl)-2-quinolin-8-ylethanone is O=C(Cc1cccc2cccnc12)N1CCCC1Cc1ccccc1.
What is the InChIKey of 1-(2-benzylpyrrolidin-1-yl)-2-quinolin-8-ylethanone?
The InChIKey is AYGXFERHEJSBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c25-21(16-19-10-4-9-18-11-5-13-23-22(18)19)24-14-6-12-20(24)15-17-7-2-1-3-8-17/h1-5,7-11,13,20H,6,12,14-16H2.
What are the key properties of 1-(2-benzylpyrrolidin-1-yl)-2-quinolin-8-ylethanone?
1-(2-benzylpyrrolidin-1-yl)-2-quinolin-8-ylethanone has a molecular weight of 330.43 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylpyrrolidin-1-yl)-2-quinolin-8-ylethanone is sourced from PubChem (CID 51338069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).