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

C17H23Cl2N3O — CID 119413204

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
SMILESCC(C)c1cc(C(=O)N2CC[C@@H](N)C2)c2ccccc2n1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-11(2)16-9-14(13-5-3-4-6-15(13)19-16)17(21)20-8-7-12(18)10-20;;/h3-6,9,11-12H,7-8,10,18H2,1-2H3;2*1H/t12-;;/m1../s1
InChIKeyAKLJGYFXFBJTFZ-CURYUGHLSA-N
MW356.30 g/mol
LogP3.38
Rot. Bonds2

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

[(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride (PubChem CID 119413204) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
PubChem CID119413204
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
SMILESCC(C)c1cc(C(=O)N2CC[C@@H](N)C2)c2ccccc2n1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-11(2)16-9-14(13-5-3-4-6-15(13)19-16)17(21)20-8-7-12(18)10-20;;/h3-6,9,11-12H,7-8,10,18H2,1-2H3;2*1H/t12-;;/m1../s1
InChIKeyAKLJGYFXFBJTFZ-CURYUGHLSA-N
XLogP3.38
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride with MolForge

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Related Compounds

1-(2-propan-2-ylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355193
[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119934500
[4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 119520643
1-(2-propan-2-ylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 154737644
[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119493389
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 120747193
(3S,4S)-4-methyl-1-(2-propan-2-ylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952970
[4-(3-aminopropoxy)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 119664455
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
(3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride
CID 119379560
(2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26737251

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride (CID 119413204) is [(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride is CC(C)c1cc(C(=O)N2CC[C@@H](N)C2)c2ccccc2n1.Cl.Cl.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride?
The InChIKey is AKLJGYFXFBJTFZ-CURYUGHLSA-N. The full InChI is InChI=1S/C17H21N3O.2ClH/c1-11(2)16-9-14(13-5-3-4-6-15(13)19-16)17(21)20-8-7-12(18)10-20;;/h3-6,9,11-12H,7-8,10,18H2,1-2H3;2*1H/t12-;;/m1../s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride?
[(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride has a molecular weight of 356.30 g/mol, XLogP of 3.38, 2 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-propan-2-ylquinolin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119413204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).