1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone

C19H24N2O3 — CID 129484445

IUPAC1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone
SMILESCOC[C@@H]1CN(C(=O)Cc2cnc3ccccc3c2)CC(C)(C)O1
InChIInChI=1S/C19H24N2O3/c1-19(2)13-21(11-16(24-19)12-23-3)18(22)9-14-8-15-6-4-5-7-17(15)20-10-14/h4-8,10,16H,9,11-13H2,1-3H3/t16-/m0/s1
InChIKeyDZUGXPPLVCMBIT-INIZCTEOSA-N
MW328.41 g/mol
LogP2.43
Rot. Bonds4

About 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone

1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone (PubChem CID 129484445) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone.

Molecular Properties

Compound Name1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone
PubChem CID129484445
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone
SMILESCOC[C@@H]1CN(C(=O)Cc2cnc3ccccc3c2)CC(C)(C)O1
InChIInChI=1S/C19H24N2O3/c1-19(2)13-21(11-16(24-19)12-23-3)18(22)9-14-8-15-6-4-5-7-17(15)20-10-14/h4-8,10,16H,9,11-13H2,1-3H3/t16-/m0/s1
InChIKeyDZUGXPPLVCMBIT-INIZCTEOSA-N
XLogP2.43
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone
CID 129484446
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone
CID 129485565
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-quinolin-6-ylmethanone
CID 128978468
2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129486314
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone
CID 129485528
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone
CID 129351192
2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129485675
2-(2-chlorophenoxy)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129485526
2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129351165
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
CID 129485960
2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 129485679
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
CID 114781637

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone?
The IUPAC name of 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone (CID 129484445) is 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone.
What is the SMILES notation for 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone?
The canonical SMILES for 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone is COC[C@@H]1CN(C(=O)Cc2cnc3ccccc3c2)CC(C)(C)O1.
What is the InChIKey of 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone?
The InChIKey is DZUGXPPLVCMBIT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(2)13-21(11-16(24-19)12-23-3)18(22)9-14-8-15-6-4-5-7-17(15)20-10-14/h4-8,10,16H,9,11-13H2,1-3H3/t16-/m0/s1.
What are the key properties of 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone?
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone has a molecular weight of 328.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone is sourced from PubChem (CID 129484445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).