[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone

C17H21N3O — CID 124699298

IUPAC[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone
SMILESCc1ccc2nc(C)c(C(=O)N3CCC[C@@H]3CN)cc2c1
InChIInChI=1S/C17H21N3O/c1-11-5-6-16-13(8-11)9-15(12(2)19-16)17(21)20-7-3-4-14(20)10-18/h5-6,8-9,14H,3-4,7,10,18H2,1-2H3/t14-/m1/s1
InChIKeySXINHDHZLBJJCO-CQSZACIVSA-N
MW283.38 g/mol
LogP2.41
Rot. Bonds2

About [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone

[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone (PubChem CID 124699298) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone
PubChem CID124699298
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone
SMILESCc1ccc2nc(C)c(C(=O)N3CCC[C@@H]3CN)cc2c1
InChIInChI=1S/C17H21N3O/c1-11-5-6-16-13(8-11)9-15(12(2)19-16)17(21)20-7-3-4-14(20)10-18/h5-6,8-9,14H,3-4,7,10,18H2,1-2H3/t14-/m1/s1
InChIKeySXINHDHZLBJJCO-CQSZACIVSA-N
XLogP2.41
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 124517231
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
(2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764274
[2-(aminomethyl)piperidin-1-yl]-(2-iodo-5-methylphenyl)methanone;hydrochloride
CID 119467434
(2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575490
(3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95585543
(2,6-dimethylquinolin-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 24685120
(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561139
4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one
CID 46994284
[2-(aminomethyl)azepan-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 116639875
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
(2,5-dimethylphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028912

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone?
The IUPAC name of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone (CID 124699298) is [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone.
What is the SMILES notation for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone?
The canonical SMILES for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone is Cc1ccc2nc(C)c(C(=O)N3CCC[C@@H]3CN)cc2c1.
What is the InChIKey of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone?
The InChIKey is SXINHDHZLBJJCO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-5-6-16-13(8-11)9-15(12(2)19-16)17(21)20-7-3-4-14(20)10-18/h5-6,8-9,14H,3-4,7,10,18H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone?
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone has a molecular weight of 283.38 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone is sourced from PubChem (CID 124699298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).