[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone

C23H25N3O2 — CID 157018261

IUPAC[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone
SMILESCC(C)(C)[C@H]1CN(C(=O)c2cccc3nccnc23)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C23H25N3O2/c1-23(2,3)20-15-26(14-19(28-20)16-8-5-4-6-9-16)22(27)17-10-7-11-18-21(17)25-13-12-24-18/h4-13,19-20H,14-15H2,1-3H3/t19-,20+/m0/s1
InChIKeyYKTZOYGQFLCOQN-VQTJNVASSA-N
MW375.47 g/mol
LogP4.26
Rot. Bonds2

About [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone

[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone (PubChem CID 157018261) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone.

Molecular Properties

Compound Name[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone
PubChem CID157018261
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone
SMILESCC(C)(C)[C@H]1CN(C(=O)c2cccc3nccnc23)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C23H25N3O2/c1-23(2,3)20-15-26(14-19(28-20)16-8-5-4-6-9-16)22(27)17-10-7-11-18-21(17)25-13-12-24-18/h4-13,19-20H,14-15H2,1-3H3/t19-,20+/m0/s1
InChIKeyYKTZOYGQFLCOQN-VQTJNVASSA-N
XLogP4.26
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-pyridin-2-ylmethanone
CID 134706148
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(1,3-dihydro-2-benzofuran-4-yl)methanone
CID 157016398
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 134695527
1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid
CID 113433187
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one
CID 134711873
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone
CID 155500879
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 134709398
(6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
CID 134710424
2-[1-(quinoxaline-5-carbonyl)azetidin-3-yl]propanoic acid
CID 116681422
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 157011586
[3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
CID 155509589
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone
CID 155494284

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone?
The IUPAC name of [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone (CID 157018261) is [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone.
What is the SMILES notation for [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone?
The canonical SMILES for [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone is CC(C)(C)[C@H]1CN(C(=O)c2cccc3nccnc23)C[C@@H](c2ccccc2)O1.
What is the InChIKey of [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone?
The InChIKey is YKTZOYGQFLCOQN-VQTJNVASSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-23(2,3)20-15-26(14-19(28-20)16-8-5-4-6-9-16)22(27)17-10-7-11-18-21(17)25-13-12-24-18/h4-13,19-20H,14-15H2,1-3H3/t19-,20+/m0/s1.
What are the key properties of [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone?
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone has a molecular weight of 375.47 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone is sourced from PubChem (CID 157018261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).