3-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinoxalin-2-one

C20H19N3O4 — CID 134695483

IUPAC3-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinoxalin-2-one
SMILESO=C(c1nc2ccccc2[nH]c1=O)N1CCO[C@H](CO)[C@H]1c1ccccc1
InChIInChI=1S/C20H19N3O4/c24-12-16-18(13-6-2-1-3-7-13)23(10-11-27-16)20(26)17-19(25)22-15-9-5-4-8-14(15)21-17/h1-9,16,18,24H,10-12H2,(H,22,25)/t16-,18-/m1/s1
InChIKeyNYNMWINGBRLOKI-SJLPKXTDSA-N
MW365.39 g/mol
LogP1.50
Rot. Bonds3

About 3-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinoxalin-2-one

3-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinoxalin-2-one (PubChem CID 134695483) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinoxalin-2-one
PubChem CID134695483
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name3-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinoxalin-2-one
SMILESO=C(c1nc2ccccc2[nH]c1=O)N1CCO[C@H](CO)[C@H]1c1ccccc1
InChIInChI=1S/C20H19N3O4/c24-12-16-18(13-6-2-1-3-7-13)23(10-11-27-16)20(26)17-19(25)22-15-9-5-4-8-14(15)21-17/h1-9,16,18,24H,10-12H2,(H,22,25)/t16-,18-/m1/s1
InChIKeyNYNMWINGBRLOKI-SJLPKXTDSA-N
XLogP1.50
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 155505387
(2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 155507363
(2,6-dimethyl-3-pyridinyl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 134712913
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 134698352
3-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyrazin-2-one
CID 155502177
(2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 155916065
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 134711695
3-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinoxalin-2-one
CID 56894607
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
CID 134713318
3-[(2S)-2-(anilinomethyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
CID 68748124
1H-indazol-3-yl-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155505567
[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 155909009

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinoxalin-2-one (CID 134695483) is 3-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinoxalin-2-one is O=C(c1nc2ccccc2[nH]c1=O)N1CCO[C@H](CO)[C@H]1c1ccccc1.
What is the InChIKey of 3-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinoxalin-2-one?
The InChIKey is NYNMWINGBRLOKI-SJLPKXTDSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-12-16-18(13-6-2-1-3-7-13)23(10-11-27-16)20(26)17-19(25)22-15-9-5-4-8-14(15)21-17/h1-9,16,18,24H,10-12H2,(H,22,25)/t16-,18-/m1/s1.
What are the key properties of 3-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinoxalin-2-one?
3-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinoxalin-2-one has a molecular weight of 365.39 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 134695483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).