[6-(3-chloro-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone

C22H20ClNO4 — CID 155524747

IUPAC[6-(3-chloro-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(-c3ccc(C)c(Cl)c3)n2)cc(OC)c1OC
InChIInChI=1S/C22H20ClNO4/c1-13-8-9-14(10-16(13)23)17-6-5-7-18(24-17)21(25)15-11-19(26-2)22(28-4)20(12-15)27-3/h5-12H,1-4H3
InChIKeyDWMSPIWXJHOKHD-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.97
Rot. Bonds6

About [6-(3-chloro-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone

[6-(3-chloro-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 155524747) has the molecular formula C22H20ClNO4 and a molecular weight of 397.86 g/mol. Its IUPAC name is [6-(3-chloro-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[6-(3-chloro-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID155524747
Molecular FormulaC22H20ClNO4
Molecular Weight397.86 g/mol
Exact Mass397.11
IUPAC Name[6-(3-chloro-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(-c3ccc(C)c(Cl)c3)n2)cc(OC)c1OC
InChIInChI=1S/C22H20ClNO4/c1-13-8-9-14(10-16(13)23)17-6-5-7-18(24-17)21(25)15-11-19(26-2)22(28-4)20(12-15)27-3/h5-12H,1-4H3
InChIKeyDWMSPIWXJHOKHD-UHFFFAOYSA-N
XLogP4.97
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-(3-chloro-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone with MolForge

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Related Compounds

[6-(3-Hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone
CID 138857390
Antitumor agent-164
CID 156583242
Quinolin-2-yl-(3,4,5-trimethoxyphenyl)methanone
CID 21815820
(6-Methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 45139822
(6-Phenylpyridin-2-yl)(3,4,5-trimethoxyphenyl)methanone
CID 53361672
(5-Chloro-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 56925461
(5-Iodo-6-methoxy-2-quinolinyl)(3,4,5-trimethoxyphenyl)methanone
CID 56925463
4-[6-(3,4,5-Trimethoxybenzoyl)-2-pyridinyl]benzonitrile
CID 155515137
4-[6-(3,4,5-Trimethoxybenzoyl)-2-pyridinyl]benzamide
CID 155518214
[6-(4-Fluorophenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
CID 155518956
1-[4-[6-(3,4,5-Trimethoxybenzoyl)-2-pyridinyl]phenyl]ethanone
CID 155519982
(6-Pyridin-3-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone
CID 155522853

Frequently Asked Questions

What is the IUPAC name of [6-(3-chloro-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [6-(3-chloro-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone (CID 155524747) is [6-(3-chloro-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [6-(3-chloro-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [6-(3-chloro-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cccc(-c3ccc(C)c(Cl)c3)n2)cc(OC)c1OC.
What is the InChIKey of [6-(3-chloro-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is DWMSPIWXJHOKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO4/c1-13-8-9-14(10-16(13)23)17-6-5-7-18(24-17)21(25)15-11-19(26-2)22(28-4)20(12-15)27-3/h5-12H,1-4H3.
What are the key properties of [6-(3-chloro-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
[6-(3-chloro-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 397.86 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chloro-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 155524747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).