[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone

C15H17N3O — CID 155950739

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone
SMILESCc1nc2ccccc2cc1C(=O)N1CC[C@H](N)C1
InChIInChI=1S/C15H17N3O/c1-10-13(15(19)18-7-6-12(16)9-18)8-11-4-2-3-5-14(11)17-10/h2-5,8,12H,6-7,9,16H2,1H3/t12-/m0/s1
InChIKeyCXHXBMULWBZYHC-LBPRGKRZSA-N
MW255.32 g/mol
LogP1.72
Rot. Bonds1

About [(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone

[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone (PubChem CID 155950739) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone
PubChem CID155950739
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone
SMILESCc1nc2ccccc2cc1C(=O)N1CC[C@H](N)C1
InChIInChI=1S/C15H17N3O/c1-10-13(15(19)18-7-6-12(16)9-18)8-11-4-2-3-5-14(11)17-10/h2-5,8,12H,6-7,9,16H2,1H3/t12-/m0/s1
InChIKeyCXHXBMULWBZYHC-LBPRGKRZSA-N
XLogP1.72
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylamino)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone;dihydrochloride
CID 126772613
[(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
(2-methylquinolin-3-yl)-morpholin-4-ylmethanone
CID 110489563
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 91947009
[(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119413204
[3-(aminomethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 119483302
(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561139
(2,7-dimethylquinolin-3-yl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613099
(3-aminopyrrolidin-1-yl)-(2-methyl-5-sulfanylphenyl)methanone
CID 107027847
[(3R)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone
CID 119410101
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone (CID 155950739) is [(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone is Cc1nc2ccccc2cc1C(=O)N1CC[C@H](N)C1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone?
The InChIKey is CXHXBMULWBZYHC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-13(15(19)18-7-6-12(16)9-18)8-11-4-2-3-5-14(11)17-10/h2-5,8,12H,6-7,9,16H2,1H3/t12-/m0/s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone?
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone has a molecular weight of 255.32 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone is sourced from PubChem (CID 155950739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).