3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one

C17H20N2O3 — CID 95584393

IUPAC3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one
SMILESC[C@H]1CN(C(=O)Cc2cc3ccccc3[nH]c2=O)[C@@H](C)CO1
InChIInChI=1S/C17H20N2O3/c1-11-10-22-12(2)9-19(11)16(20)8-14-7-13-5-3-4-6-15(13)18-17(14)21/h3-7,11-12H,8-10H2,1-2H3,(H,18,21)/t11-,12-/m0/s1
InChIKeyXKIXCIBDXXQOTF-RYUDHWBXSA-N
MW300.36 g/mol
LogP1.71
Rot. Bonds2

About 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one

3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one (PubChem CID 95584393) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one
PubChem CID95584393
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one
SMILESC[C@H]1CN(C(=O)Cc2cc3ccccc3[nH]c2=O)[C@@H](C)CO1
InChIInChI=1S/C17H20N2O3/c1-11-10-22-12(2)9-19(11)16(20)8-14-7-13-5-3-4-6-15(13)18-17(14)21/h3-7,11-12H,8-10H2,1-2H3,(H,18,21)/t11-,12-/m0/s1
InChIKeyXKIXCIBDXXQOTF-RYUDHWBXSA-N
XLogP1.71
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one
CID 56817964
(2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119372066
3-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one
CID 136566373
3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one
CID 124628242
(3S)-2-[2-(2-oxo-1H-quinolin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125151333
2-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-4-yl]acetamide
CID 56815967
2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 55213909
3-[[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanylmethyl]-1H-quinolin-2-one
CID 97092188
3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid
CID 126790396
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053963
1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053964
6-[2-(2-oxo-1H-quinolin-3-yl)acetyl]-6-azaspiro[4.5]decane-8-carboxylic acid
CID 154871809

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one (CID 95584393) is 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one is C[C@H]1CN(C(=O)Cc2cc3ccccc3[nH]c2=O)[C@@H](C)CO1.
What is the InChIKey of 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one?
The InChIKey is XKIXCIBDXXQOTF-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-10-22-12(2)9-19(11)16(20)8-14-7-13-5-3-4-6-15(13)18-17(14)21/h3-7,11-12H,8-10H2,1-2H3,(H,18,21)/t11-,12-/m0/s1.
What are the key properties of 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one?
3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one has a molecular weight of 300.36 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one is sourced from PubChem (CID 95584393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).