4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one

C21H20N2O3 — CID 52528403

IUPAC4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
SMILESC[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccccc23)C[C@H](c2ccccc2)O1
InChIInChI=1S/C21H20N2O3/c1-14-12-23(13-19(26-14)15-7-3-2-4-8-15)21(25)17-11-20(24)22-18-10-6-5-9-16(17)18/h2-11,14,19H,12-13H2,1H3,(H,22,24)/t14-,19-/m1/s1
InChIKeyGCLXFHPKFCOHRD-AUUYWEPGSA-N
MW348.40 g/mol
LogP3.13
Rot. Bonds2

About 4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one

4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one (PubChem CID 52528403) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
PubChem CID52528403
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
SMILESC[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccccc23)C[C@H](c2ccccc2)O1
InChIInChI=1S/C21H20N2O3/c1-14-12-23(13-19(26-14)15-7-3-2-4-8-15)21(25)17-11-20(24)22-18-10-6-5-9-16(17)18/h2-11,14,19H,12-13H2,1H3,(H,22,24)/t14-,19-/m1/s1
InChIKeyGCLXFHPKFCOHRD-AUUYWEPGSA-N
XLogP3.13
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 31415081
[2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95772487
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 4087645
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 95583766
5-(2-methyl-6-phenylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 47914673
3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one
CID 94823289
(1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 96997373
(2-bromo-4-fluorophenyl)-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 47914309
4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one
CID 72892217
(3-bromo-2-hydroxy-5-methylphenyl)-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95034994
2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 52537836

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one (CID 52528403) is 4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one is C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccccc23)C[C@H](c2ccccc2)O1.
What is the InChIKey of 4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one?
The InChIKey is GCLXFHPKFCOHRD-AUUYWEPGSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14-12-23(13-19(26-14)15-7-3-2-4-8-15)21(25)17-11-20(24)22-18-10-6-5-9-16(17)18/h2-11,14,19H,12-13H2,1H3,(H,22,24)/t14-,19-/m1/s1.
What are the key properties of 4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one?
4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one has a molecular weight of 348.40 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 52528403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).