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

C20H25N3O — CID 95329119

IUPAC[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)c2ccccc2n1
InChIInChI=1S/C20H25N3O/c1-14-13-16(15-7-3-4-8-17(15)21-14)20(24)23-12-6-10-19(23)18-9-5-11-22(18)2/h3-4,7-8,13,18-19H,5-6,9-12H2,1-2H3/t18-,19-/m1/s1
InChIKeySZPCVBAMBZCNFH-RTBURBONSA-N
MW323.44 g/mol
LogP3.24
Rot. Bonds2

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

[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone (PubChem CID 95329119) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
PubChem CID95329119
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)c2ccccc2n1
InChIInChI=1S/C20H25N3O/c1-14-13-16(15-7-3-4-8-17(15)21-14)20(24)23-12-6-10-19(23)18-9-5-11-22(18)2/h3-4,7-8,13,18-19H,5-6,9-12H2,1-2H3/t18-,19-/m1/s1
InChIKeySZPCVBAMBZCNFH-RTBURBONSA-N
XLogP3.24
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 92756294
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 81485630
[2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 72873922
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95294919
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95294918
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 129427982
(2-bromophenyl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95334489
6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 122083564
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The IUPAC name of [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone (CID 95329119) is [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone.
What is the SMILES notation for [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The canonical SMILES for [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone is Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)c2ccccc2n1.
What is the InChIKey of [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The InChIKey is SZPCVBAMBZCNFH-RTBURBONSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14-13-16(15-7-3-4-8-17(15)21-14)20(24)23-12-6-10-19(23)18-9-5-11-22(18)2/h3-4,7-8,13,18-19H,5-6,9-12H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone?
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone has a molecular weight of 323.44 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 95329119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).