[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone

C26H23N3O3 — CID 125005581

IUPAC[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone
SMILESCOc1ccc(-c2cccc([C@@H]3CN(C(=O)c4cccc5cccnc45)CCO3)n2)cc1
InChIInChI=1S/C26H23N3O3/c1-31-20-12-10-18(11-13-20)22-8-3-9-23(28-22)24-17-29(15-16-32-24)26(30)21-7-2-5-19-6-4-14-27-25(19)21/h2-14,24H,15-17H2,1H3/t24-/m0/s1
InChIKeyUAIPIGZFIWQHMV-DEOSSOPVSA-N
MW425.49 g/mol
LogP4.52
Rot. Bonds4

About [(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone

[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone (PubChem CID 125005581) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is [(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone
PubChem CID125005581
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone
SMILESCOc1ccc(-c2cccc([C@@H]3CN(C(=O)c4cccc5cccnc45)CCO3)n2)cc1
InChIInChI=1S/C26H23N3O3/c1-31-20-12-10-18(11-13-20)22-8-3-9-23(28-22)24-17-29(15-16-32-24)26(30)21-7-2-5-19-6-4-14-27-25(19)21/h2-14,24H,15-17H2,1H3/t24-/m0/s1
InChIKeyUAIPIGZFIWQHMV-DEOSSOPVSA-N
XLogP4.52
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 125011310
[2-(hydroxymethyl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 81208124
[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone
CID 110135453
[2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 81211794
(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
CID 62917957
2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 125026040
(4-methoxyphenyl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124969089
(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-(quinolin-6-ylmethyl)morpholine
CID 125021519
3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 129457912
(2-fluorophenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327171
(3-hydroxypiperidin-1-yl)-quinolin-8-ylmethanone
CID 43415800
(2-methoxyphenyl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone
CID 127246249

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone?
The IUPAC name of [(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone (CID 125005581) is [(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone.
What is the SMILES notation for [(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone?
The canonical SMILES for [(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone is COc1ccc(-c2cccc([C@@H]3CN(C(=O)c4cccc5cccnc45)CCO3)n2)cc1.
What is the InChIKey of [(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone?
The InChIKey is UAIPIGZFIWQHMV-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-31-20-12-10-18(11-13-20)22-8-3-9-23(28-22)24-17-29(15-16-32-24)26(30)21-7-2-5-19-6-4-14-27-25(19)21/h2-14,24H,15-17H2,1H3/t24-/m0/s1.
What are the key properties of [(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone?
[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone has a molecular weight of 425.49 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone is sourced from PubChem (CID 125005581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).