[(2S)-2-[6-(4-methoxyphenoxy)-2-pyridinyl]morpholin-4-yl]-(4-phenyloxan-4-yl)methanone

C28H30N2O5 — CID 124961302

IUPAC[(2S)-2-[6-(4-methoxyphenoxy)-2-pyridinyl]morpholin-4-yl]-(4-phenyloxan-4-yl)methanone
SMILESCOc1ccc(Oc2cccc([C@@H]3CN(C(=O)C4(c5ccccc5)CCOCC4)CCO3)n2)cc1
InChIInChI=1S/C28H30N2O5/c1-32-22-10-12-23(13-11-22)35-26-9-5-8-24(29-26)25-20-30(16-19-34-25)27(31)28(14-17-33-18-15-28)21-6-3-2-4-7-21/h2-13,25H,14-20H2,1H3/t25-/m0/s1
InChIKeyHAOZABHBUIGKQT-VWLOTQADSA-N
MW474.56 g/mol
LogP4.53
Rot. Bonds6

About [(2S)-2-[6-(4-methoxyphenoxy)-2-pyridinyl]morpholin-4-yl]-(4-phenyloxan-4-yl)methanone

[(2S)-2-[6-(4-methoxyphenoxy)-2-pyridinyl]morpholin-4-yl]-(4-phenyloxan-4-yl)methanone (PubChem CID 124961302) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is [(2S)-2-[6-(4-methoxyphenoxy)-2-pyridinyl]morpholin-4-yl]-(4-phenyloxan-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[6-(4-methoxyphenoxy)-2-pyridinyl]morpholin-4-yl]-(4-phenyloxan-4-yl)methanone
PubChem CID124961302
Molecular FormulaC28H30N2O5
Molecular Weight474.56 g/mol
Exact Mass474.22
IUPAC Name[(2S)-2-[6-(4-methoxyphenoxy)-2-pyridinyl]morpholin-4-yl]-(4-phenyloxan-4-yl)methanone
SMILESCOc1ccc(Oc2cccc([C@@H]3CN(C(=O)C4(c5ccccc5)CCOCC4)CCO3)n2)cc1
InChIInChI=1S/C28H30N2O5/c1-32-22-10-12-23(13-11-22)35-26-9-5-8-24(29-26)25-20-30(16-19-34-25)27(31)28(14-17-33-18-15-28)21-6-3-2-4-7-21/h2-13,25H,14-20H2,1H3/t25-/m0/s1
InChIKeyHAOZABHBUIGKQT-VWLOTQADSA-N
XLogP4.53
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-[6-(4-methoxyphenoxy)-2-pyridinyl]morpholin-4-yl]-(4-phenyloxan-4-yl)methanone with MolForge

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Related Compounds

[2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone
CID 121134836
[4-(4-methoxyphenyl)oxan-4-yl]-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 129459227
[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone
CID 129456421
[4-(4-methoxyphenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 47718009
[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 100757035
[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone
CID 124998730
[(3aR,4R,7aS)-4-[(4-methoxyphenyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(4-phenyloxan-4-yl)methanone
CID 110149302
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
CID 110105302
[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
CID 124971623
[6-(isoquinolin-8-ylmethyl)-1,4-oxazepan-4-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone
CID 132779737
[(6S)-6-(isoquinolin-8-ylmethyl)-1,4-oxazepan-4-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone
CID 129459960
[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 129454072

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-(4-methoxyphenoxy)-2-pyridinyl]morpholin-4-yl]-(4-phenyloxan-4-yl)methanone?
The IUPAC name of [(2S)-2-[6-(4-methoxyphenoxy)-2-pyridinyl]morpholin-4-yl]-(4-phenyloxan-4-yl)methanone (CID 124961302) is [(2S)-2-[6-(4-methoxyphenoxy)-2-pyridinyl]morpholin-4-yl]-(4-phenyloxan-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[6-(4-methoxyphenoxy)-2-pyridinyl]morpholin-4-yl]-(4-phenyloxan-4-yl)methanone?
The canonical SMILES for [(2S)-2-[6-(4-methoxyphenoxy)-2-pyridinyl]morpholin-4-yl]-(4-phenyloxan-4-yl)methanone is COc1ccc(Oc2cccc([C@@H]3CN(C(=O)C4(c5ccccc5)CCOCC4)CCO3)n2)cc1.
What is the InChIKey of [(2S)-2-[6-(4-methoxyphenoxy)-2-pyridinyl]morpholin-4-yl]-(4-phenyloxan-4-yl)methanone?
The InChIKey is HAOZABHBUIGKQT-VWLOTQADSA-N. The full InChI is InChI=1S/C28H30N2O5/c1-32-22-10-12-23(13-11-22)35-26-9-5-8-24(29-26)25-20-30(16-19-34-25)27(31)28(14-17-33-18-15-28)21-6-3-2-4-7-21/h2-13,25H,14-20H2,1H3/t25-/m0/s1.
What are the key properties of [(2S)-2-[6-(4-methoxyphenoxy)-2-pyridinyl]morpholin-4-yl]-(4-phenyloxan-4-yl)methanone?
[(2S)-2-[6-(4-methoxyphenoxy)-2-pyridinyl]morpholin-4-yl]-(4-phenyloxan-4-yl)methanone has a molecular weight of 474.56 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-(4-methoxyphenoxy)-2-pyridinyl]morpholin-4-yl]-(4-phenyloxan-4-yl)methanone is sourced from PubChem (CID 124961302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).