[2-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinyl]-morpholin-4-ylmethanone

C24H24N2O4 — CID 19005849

IUPAC[2-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2nc(-c3ccccc3)ccc2C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C24H24N2O4/c1-28-21-11-8-18(16-22(21)29-2)23-19(24(27)26-12-14-30-15-13-26)9-10-20(25-23)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3
InChIKeyIVTWMHFBISRMIL-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.91
Rot. Bonds5

About [2-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinyl]-morpholin-4-ylmethanone

[2-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 19005849) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID19005849
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name[2-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2nc(-c3ccccc3)ccc2C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C24H24N2O4/c1-28-21-11-8-18(16-22(21)29-2)23-19(24(27)26-12-14-30-15-13-26)9-10-20(25-23)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3
InChIKeyIVTWMHFBISRMIL-UHFFFAOYSA-N
XLogP3.91
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinyl]-morpholin-4-ylmethanone (CID 19005849) is [2-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinyl]-morpholin-4-ylmethanone is COc1ccc(-c2nc(-c3ccccc3)ccc2C(=O)N2CCOCC2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is IVTWMHFBISRMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-28-21-11-8-18(16-22(21)29-2)23-19(24(27)26-12-14-30-15-13-26)9-10-20(25-23)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinyl]-morpholin-4-ylmethanone?
[2-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 404.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 19005849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).