[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylquinolin-8-yl)methanone

C19H24N2O3 — CID 129486246

IUPAC[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylquinolin-8-yl)methanone
SMILESCOC[C@@H]1CN(C(=O)c2cccc3ccc(C)nc23)CC(C)(C)O1
InChIInChI=1S/C19H24N2O3/c1-13-8-9-14-6-5-7-16(17(14)20-13)18(22)21-10-15(11-23-4)24-19(2,3)12-21/h5-9,15H,10-12H2,1-4H3/t15-/m0/s1
InChIKeyXWDXIWGGTIKCNG-HNNXBMFYSA-N
MW328.41 g/mol
LogP2.81
Rot. Bonds3

About [(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylquinolin-8-yl)methanone

[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylquinolin-8-yl)methanone (PubChem CID 129486246) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylquinolin-8-yl)methanone.

Molecular Properties

Compound Name[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylquinolin-8-yl)methanone
PubChem CID129486246
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylquinolin-8-yl)methanone
SMILESCOC[C@@H]1CN(C(=O)c2cccc3ccc(C)nc23)CC(C)(C)O1
InChIInChI=1S/C19H24N2O3/c1-13-8-9-14-6-5-7-16(17(14)20-13)18(22)21-10-15(11-23-4)24-19(2,3)12-21/h5-9,15H,10-12H2,1-4H3/t15-/m0/s1
InChIKeyXWDXIWGGTIKCNG-HNNXBMFYSA-N
XLogP2.81
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylquinolin-8-yl)methanone?
The IUPAC name of [(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylquinolin-8-yl)methanone (CID 129486246) is [(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylquinolin-8-yl)methanone.
What is the SMILES notation for [(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylquinolin-8-yl)methanone?
The canonical SMILES for [(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylquinolin-8-yl)methanone is COC[C@@H]1CN(C(=O)c2cccc3ccc(C)nc23)CC(C)(C)O1.
What is the InChIKey of [(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylquinolin-8-yl)methanone?
The InChIKey is XWDXIWGGTIKCNG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-8-9-14-6-5-7-16(17(14)20-13)18(22)21-10-15(11-23-4)24-19(2,3)12-21/h5-9,15H,10-12H2,1-4H3/t15-/m0/s1.
What are the key properties of [(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylquinolin-8-yl)methanone?
[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylquinolin-8-yl)methanone has a molecular weight of 328.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylquinolin-8-yl)methanone is sourced from PubChem (CID 129486246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).