[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone

C16H19N3O — CID 124699260

IUPAC[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone
SMILESCc1ccc2cccc(C(=O)N3CCC[C@@H]3CN)c2n1
InChIInChI=1S/C16H19N3O/c1-11-7-8-12-4-2-6-14(15(12)18-11)16(20)19-9-3-5-13(19)10-17/h2,4,6-8,13H,3,5,9-10,17H2,1H3/t13-/m1/s1
InChIKeyIWDXZYWQQWCADJ-CYBMUJFWSA-N
MW269.35 g/mol
LogP2.11
Rot. Bonds2

About [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone

[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone (PubChem CID 124699260) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone
PubChem CID124699260
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone
SMILESCc1ccc2cccc(C(=O)N3CCC[C@@H]3CN)c2n1
InChIInChI=1S/C16H19N3O/c1-11-7-8-12-4-2-6-14(15(12)18-11)16(20)19-9-3-5-13(19)10-17/h2,4,6-8,13H,3,5,9-10,17H2,1H3/t13-/m1/s1
InChIKeyIWDXZYWQQWCADJ-CYBMUJFWSA-N
XLogP2.11
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylquinolin-8-yl)methanone
CID 124690231
[2-(aminomethyl)pyrrolidin-1-yl]-(3-iodo-2-methylphenyl)methanone;hydrochloride
CID 119633627
[2-(aminomethyl)pyrrolidin-1-yl]-(3-bromo-2-methylphenyl)methanone;hydrochloride
CID 119633395
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
[2-(aminomethyl)azepan-1-yl]-(2,3-dimethylphenyl)methanone
CID 116640061
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 134408479
[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-bromo-2-methylphenyl)methanone
CID 124513776
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 28706937
[2-(aminomethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63754345
[2-(aminomethyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104671716
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone?
The IUPAC name of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone (CID 124699260) is [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone.
What is the SMILES notation for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone?
The canonical SMILES for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone is Cc1ccc2cccc(C(=O)N3CCC[C@@H]3CN)c2n1.
What is the InChIKey of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone?
The InChIKey is IWDXZYWQQWCADJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-7-8-12-4-2-6-14(15(12)18-11)16(20)19-9-3-5-13(19)10-17/h2,4,6-8,13H,3,5,9-10,17H2,1H3/t13-/m1/s1.
What are the key properties of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone?
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone has a molecular weight of 269.35 g/mol, XLogP of 2.11, 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-methylquinolin-8-yl)methanone is sourced from PubChem (CID 124699260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).