[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride

C15H19Cl2N3O — CID 119412550

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
SMILESCc1cc(C(=O)N2CC[C@@H](N)C2)c2ccccc2n1.Cl.Cl
InChIInChI=1S/C15H17N3O.2ClH/c1-10-8-13(12-4-2-3-5-14(12)17-10)15(19)18-7-6-11(16)9-18;;/h2-5,8,11H,6-7,9,16H2,1H3;2*1H/t11-;;/m1../s1
InChIKeyMGCFSRHCVFIKME-NVJADKKVSA-N
MW328.24 g/mol
LogP2.56
Rot. Bonds1

About [(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride

[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride (PubChem CID 119412550) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
PubChem CID119412550
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
SMILESCc1cc(C(=O)N2CC[C@@H](N)C2)c2ccccc2n1.Cl.Cl
InChIInChI=1S/C15H17N3O.2ClH/c1-10-8-13(12-4-2-3-5-14(12)17-10)15(19)18-7-6-11(16)9-18;;/h2-5,8,11H,6-7,9,16H2,1H3;2*1H/t11-;;/m1../s1
InChIKeyMGCFSRHCVFIKME-NVJADKKVSA-N
XLogP2.56
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119934500
(4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119592520
[(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119413204
[3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 120727676
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082
[3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 119595926
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 155950739
[(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone
CID 124593306
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride (CID 119412550) is [(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride is Cc1cc(C(=O)N2CC[C@@H](N)C2)c2ccccc2n1.Cl.Cl.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride?
The InChIKey is MGCFSRHCVFIKME-NVJADKKVSA-N. The full InChI is InChI=1S/C15H17N3O.2ClH/c1-10-8-13(12-4-2-3-5-14(12)17-10)15(19)18-7-6-11(16)9-18;;/h2-5,8,11H,6-7,9,16H2,1H3;2*1H/t11-;;/m1../s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride?
[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride has a molecular weight of 328.24 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119412550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).