1-[4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]phenyl]ethanone

C23H21NO5 — CID 155519982

IUPAC1-[4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]phenyl]ethanone
SMILESCOc1cc(C(=O)c2cccc(-c3ccc(C(C)=O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C23H21NO5/c1-14(25)15-8-10-16(11-9-15)18-6-5-7-19(24-18)22(26)17-12-20(27-2)23(29-4)21(13-17)28-3/h5-13H,1-4H3
InChIKeySCDWBJNMZXZSJH-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.21
Rot. Bonds7

About 1-[4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]phenyl]ethanone

1-[4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]phenyl]ethanone (PubChem CID 155519982) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is 1-[4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]phenyl]ethanone
PubChem CID155519982
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name1-[4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]phenyl]ethanone
SMILESCOc1cc(C(=O)c2cccc(-c3ccc(C(C)=O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C23H21NO5/c1-14(25)15-8-10-16(11-9-15)18-6-5-7-19(24-18)22(26)17-12-20(27-2)23(29-4)21(13-17)28-3/h5-13H,1-4H3
InChIKeySCDWBJNMZXZSJH-UHFFFAOYSA-N
XLogP4.21
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Papaveraldine
CID 96932
Pirozadil
CID 68711
[6-(3-Hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone
CID 138857390
CID 45139825
CID 45139825
[6-(3-Hydroxy-4-methylphenyl)pyrazin-2-yl](3,4,5-trimethoxyphenyl)methanone
CID 156583241
Antitumor agent-164
CID 156583242
(5-methoxy-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 9924078
(5-Methyl-1H-indol-2-yl)-(3,4,5-trimethoxy-phenyl)-methanone
CID 9945147
Quinolin-2-yl-(3,4,5-trimethoxyphenyl)methanone
CID 21815820
Quinolin-4-yl-(3,4,5-trimethoxyphenyl)methanone
CID 45139640
(6-Methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 45139822
(2-Methoxyquinolin-6-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 45139824

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]phenyl]ethanone?
The IUPAC name of 1-[4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]phenyl]ethanone (CID 155519982) is 1-[4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]phenyl]ethanone is COc1cc(C(=O)c2cccc(-c3ccc(C(C)=O)cc3)n2)cc(OC)c1OC.
What is the InChIKey of 1-[4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]phenyl]ethanone?
The InChIKey is SCDWBJNMZXZSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-14(25)15-8-10-16(11-9-15)18-6-5-7-19(24-18)22(26)17-12-20(27-2)23(29-4)21(13-17)28-3/h5-13H,1-4H3.
What are the key properties of 1-[4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]phenyl]ethanone?
1-[4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]phenyl]ethanone has a molecular weight of 391.42 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]phenyl]ethanone is sourced from PubChem (CID 155519982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).