[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone

C19H23N3O — CID 129427982

IUPAC[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
SMILESCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H23N3O/c1-21-12-4-8-17(21)18-9-5-13-22(18)19(23)16-11-10-14-6-2-3-7-15(14)20-16/h2-3,6-7,10-11,17-18H,4-5,8-9,12-13H2,1H3/t17-,18+/m0/s1
InChIKeyLKCRJJVGYFDJEI-ZWKOTPCHSA-N
MW309.41 g/mol
LogP2.93
Rot. Bonds2

About [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone

[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 129427982) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
PubChem CID129427982
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
SMILESCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H23N3O/c1-21-12-4-8-17(21)18-9-5-13-22(18)19(23)16-11-10-14-6-2-3-7-15(14)20-16/h2-3,6-7,10-11,17-18H,4-5,8-9,12-13H2,1H3/t17-,18+/m0/s1
InChIKeyLKCRJJVGYFDJEI-ZWKOTPCHSA-N
XLogP2.93
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 95319800
[2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 63765568
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 95329119
[2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63249558
(8aR,11aS)-1-(quinoline-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201542
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95328917
[(2S,3R)-2,3-dimethylthiomorpholin-4-yl]-quinolin-2-ylmethanone
CID 95630049
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129461529
(2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone
CID 122331673
N-cyclohexyl-2-hydroxy-2-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]acetamide
CID 10523905
[(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-2-ylmethanone
CID 98811679
(2-bromophenyl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95334489

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone (CID 129427982) is [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone is CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc2ccccc2n1.
What is the InChIKey of [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is LKCRJJVGYFDJEI-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21-12-4-8-17(21)18-9-5-13-22(18)19(23)16-11-10-14-6-2-3-7-15(14)20-16/h2-3,6-7,10-11,17-18H,4-5,8-9,12-13H2,1H3/t17-,18+/m0/s1.
What are the key properties of [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone?
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 309.41 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 129427982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).