[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride

C20H27Cl2N3O — CID 119633241

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride
SMILESCc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCCC3CN)c2c1.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-12-8-13(2)19-16(9-12)17(10-18(22-19)14-5-6-14)20(24)23-7-3-4-15(23)11-21;;/h8-10,14-15H,3-7,11,21H2,1-2H3;2*1H
InChIKeyIHKQFOONGHJTBS-UHFFFAOYSA-N
MW396.36 g/mol
LogP4.14
Rot. Bonds3

About [2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride

[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride (PubChem CID 119633241) has the molecular formula C20H27Cl2N3O and a molecular weight of 396.36 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride
PubChem CID119633241
Molecular FormulaC20H27Cl2N3O
Molecular Weight396.36 g/mol
Exact Mass395.15
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride
SMILESCc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCCC3CN)c2c1.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-12-8-13(2)19-16(9-12)17(10-18(22-19)14-5-6-14)20(24)23-7-3-4-15(23)11-21;;/h8-10,14-15H,3-7,11,21H2,1-2H3;2*1H
InChIKeyIHKQFOONGHJTBS-UHFFFAOYSA-N
XLogP4.14
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide
CID 71923022
[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119632453
(3-aminopiperidin-1-yl)-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone
CID 119380047
(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119491465
1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 119152117
[2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
CID 119467502
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride
CID 120656910
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 119631123
(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877928
[2-(aminomethyl)piperidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 119468617
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone
CID 124699298

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride (CID 119633241) is [2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride is Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCCC3CN)c2c1.Cl.Cl.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride?
The InChIKey is IHKQFOONGHJTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.2ClH/c1-12-8-13(2)19-16(9-12)17(10-18(22-19)14-5-6-14)20(24)23-7-3-4-15(23)11-21;;/h8-10,14-15H,3-7,11,21H2,1-2H3;2*1H.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride?
[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride has a molecular weight of 396.36 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119633241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).