(2,6-dimethylquinolin-4-yl)-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone

C21H27N3O2 — CID 154758772

IUPAC(2,6-dimethylquinolin-4-yl)-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESCc1ccc2nc(C)cc(C(=O)N3CC[C@@H](N4CCOCC4)[C@H]3C)c2c1
InChIInChI=1S/C21H27N3O2/c1-14-4-5-19-17(12-14)18(13-15(2)22-19)21(25)24-7-6-20(16(24)3)23-8-10-26-11-9-23/h4-5,12-13,16,20H,6-11H2,1-3H3/t16-,20-/m1/s1
InChIKeyQJSNLAYSICNQHH-OXQOHEQNSA-N
MW353.47 g/mol
LogP2.79
Rot. Bonds2

About (2,6-dimethylquinolin-4-yl)-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone

(2,6-dimethylquinolin-4-yl)-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 154758772) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (2,6-dimethylquinolin-4-yl)-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylquinolin-4-yl)-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone
PubChem CID154758772
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(2,6-dimethylquinolin-4-yl)-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESCc1ccc2nc(C)cc(C(=O)N3CC[C@@H](N4CCOCC4)[C@H]3C)c2c1
InChIInChI=1S/C21H27N3O2/c1-14-4-5-19-17(12-14)18(13-15(2)22-19)21(25)24-7-6-20(16(24)3)23-8-10-26-11-9-23/h4-5,12-13,16,20H,6-11H2,1-3H3/t16-,20-/m1/s1
InChIKeyQJSNLAYSICNQHH-OXQOHEQNSA-N
XLogP2.79
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylquinolin-4-yl)-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (2,6-dimethylquinolin-4-yl)-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone (CID 154758772) is (2,6-dimethylquinolin-4-yl)-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethylquinolin-4-yl)-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethylquinolin-4-yl)-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone is Cc1ccc2nc(C)cc(C(=O)N3CC[C@@H](N4CCOCC4)[C@H]3C)c2c1.
What is the InChIKey of (2,6-dimethylquinolin-4-yl)-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is QJSNLAYSICNQHH-OXQOHEQNSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14-4-5-19-17(12-14)18(13-15(2)22-19)21(25)24-7-6-20(16(24)3)23-8-10-26-11-9-23/h4-5,12-13,16,20H,6-11H2,1-3H3/t16-,20-/m1/s1.
What are the key properties of (2,6-dimethylquinolin-4-yl)-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone?
(2,6-dimethylquinolin-4-yl)-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylquinolin-4-yl)-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 154758772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).