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

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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).