[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride

C14H17Cl2N3O — CID 119412655

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCN(C(=O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C14H15N3O.2ClH/c15-12-5-7-17(9-12)14(18)11-3-4-13-10(8-11)2-1-6-16-13;;/h1-4,6,8,12H,5,7,9,15H2;2*1H/t12-;;/m1../s1
InChIKeyFWYJOYJWDSIBGD-CURYUGHLSA-N
MW314.22 g/mol
LogP2.25
Rot. Bonds1

About [(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride

[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride (PubChem CID 119412655) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
PubChem CID119412655
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCN(C(=O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C14H15N3O.2ClH/c15-12-5-7-17(9-12)14(18)11-3-4-13-10(8-11)2-1-6-16-13;;/h1-4,6,8,12H,5,7,9,15H2;2*1H/t12-;;/m1../s1
InChIKeyFWYJOYJWDSIBGD-CURYUGHLSA-N
XLogP2.25
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119398124
methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
CID 78988205
[4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 119624681
[4-(1-bromoethyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 106839347
pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258714
1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one
CID 42531267
[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 110104793
[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 128990864
[(3S)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 129478573
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843
(3-aminopyrrolidin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107727512
(3-aminopyrrolidin-1-yl)-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644269

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride (CID 119412655) is [(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride is Cl.Cl.N[C@@H]1CCN(C(=O)c2ccc3ncccc3c2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride?
The InChIKey is FWYJOYJWDSIBGD-CURYUGHLSA-N. The full InChI is InChI=1S/C14H15N3O.2ClH/c15-12-5-7-17(9-12)14(18)11-3-4-13-10(8-11)2-1-6-16-13;;/h1-4,6,8,12H,5,7,9,15H2;2*1H/t12-;;/m1../s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride?
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride has a molecular weight of 314.22 g/mol, XLogP of 2.25, 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]-quinolin-6-ylmethanone;dihydrochloride is sourced from PubChem (CID 119412655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).