cyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone

C21H27N3O2 — CID 133369295

IUPACcyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
SMILESCOc1cccc2c(NC3CCN(C(=O)C4CCCC4)C3)cc(C)nc12
InChIInChI=1S/C21H27N3O2/c1-14-12-18(17-8-5-9-19(26-2)20(17)22-14)23-16-10-11-24(13-16)21(25)15-6-3-4-7-15/h5,8-9,12,15-16H,3-4,6-7,10-11,13H2,1-2H3,(H,22,23)
InChIKeyPPXATGMZGHJXFD-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.75
Rot. Bonds4

About cyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone

cyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone (PubChem CID 133369295) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is cyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
PubChem CID133369295
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Namecyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
SMILESCOc1cccc2c(NC3CCN(C(=O)C4CCCC4)C3)cc(C)nc12
InChIInChI=1S/C21H27N3O2/c1-14-12-18(17-8-5-9-19(26-2)20(17)22-14)23-16-10-11-24(13-16)21(25)15-6-3-4-7-15/h5,8-9,12,15-16H,3-4,6-7,10-11,13H2,1-2H3,(H,22,23)
InChIKeyPPXATGMZGHJXFD-UHFFFAOYSA-N
XLogP3.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-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

cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133366806
N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine
CID 133369212
cyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 166237055
8-methoxy-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine
CID 133388731
1-[3-[(8-fluoro-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 133369306
[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133367003
3-[(8-methoxy-2-methylquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 133394043
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide
CID 110871467
cyclopentyl-[(3S)-3-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
CID 97323731
cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
CID 97323732
cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 24792136
[3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133366766

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone (CID 133369295) is cyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone is COc1cccc2c(NC3CCN(C(=O)C4CCCC4)C3)cc(C)nc12.
What is the InChIKey of cyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone?
The InChIKey is PPXATGMZGHJXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14-12-18(17-8-5-9-19(26-2)20(17)22-14)23-16-10-11-24(13-16)21(25)15-6-3-4-7-15/h5,8-9,12,15-16H,3-4,6-7,10-11,13H2,1-2H3,(H,22,23).
What are the key properties of cyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone?
cyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 133369295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).