4-[(3-methoxyphenyl)methyl]-5-phenylthieno[3,2-b]pyridin-7-one

C21H17NO2S — CID 102442711

IUPAC4-[(3-methoxyphenyl)methyl]-5-phenylthieno[3,2-b]pyridin-7-one
SMILESCOc1cccc(Cn2c(-c3ccccc3)cc(=O)c3sccc32)c1
InChIInChI=1S/C21H17NO2S/c1-24-17-9-5-6-15(12-17)14-22-18-10-11-25-21(18)20(23)13-19(22)16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKeyPQRCVWSQNJQIRC-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.79
Rot. Bonds4

About 4-[(3-methoxyphenyl)methyl]-5-phenylthieno[3,2-b]pyridin-7-one

4-[(3-methoxyphenyl)methyl]-5-phenylthieno[3,2-b]pyridin-7-one (PubChem CID 102442711) has the molecular formula C21H17NO2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl]-5-phenylthieno[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methyl]-5-phenylthieno[3,2-b]pyridin-7-one
PubChem CID102442711
Molecular FormulaC21H17NO2S
Molecular Weight347.44 g/mol
Exact Mass347.10
IUPAC Name4-[(3-methoxyphenyl)methyl]-5-phenylthieno[3,2-b]pyridin-7-one
SMILESCOc1cccc(Cn2c(-c3ccccc3)cc(=O)c3sccc32)c1
InChIInChI=1S/C21H17NO2S/c1-24-17-9-5-6-15(12-17)14-22-18-10-11-25-21(18)20(23)13-19(22)16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKeyPQRCVWSQNJQIRC-UHFFFAOYSA-N
XLogP4.79
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one
CID 134913635
2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 46923002
2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 46922960
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 53131135
4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione
CID 4791207
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-[(3-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 46922947
N-(3,4-dichlorophenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46923035
N-(3,5-dimethoxyphenyl)-2-[3-[(3-ethoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46923552
N-(3-cyanophenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46923024
(2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one
CID 94072924
N-(3-chloro-4-methoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46922977
ethyl 4-[[2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetyl]amino]benzoate
CID 46922954

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methyl]-5-phenylthieno[3,2-b]pyridin-7-one?
The IUPAC name of 4-[(3-methoxyphenyl)methyl]-5-phenylthieno[3,2-b]pyridin-7-one (CID 102442711) is 4-[(3-methoxyphenyl)methyl]-5-phenylthieno[3,2-b]pyridin-7-one.
What is the SMILES notation for 4-[(3-methoxyphenyl)methyl]-5-phenylthieno[3,2-b]pyridin-7-one?
The canonical SMILES for 4-[(3-methoxyphenyl)methyl]-5-phenylthieno[3,2-b]pyridin-7-one is COc1cccc(Cn2c(-c3ccccc3)cc(=O)c3sccc32)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methyl]-5-phenylthieno[3,2-b]pyridin-7-one?
The InChIKey is PQRCVWSQNJQIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2S/c1-24-17-9-5-6-15(12-17)14-22-18-10-11-25-21(18)20(23)13-19(22)16-7-3-2-4-8-16/h2-13H,14H2,1H3.
What are the key properties of 4-[(3-methoxyphenyl)methyl]-5-phenylthieno[3,2-b]pyridin-7-one?
4-[(3-methoxyphenyl)methyl]-5-phenylthieno[3,2-b]pyridin-7-one has a molecular weight of 347.44 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methyl]-5-phenylthieno[3,2-b]pyridin-7-one is sourced from PubChem (CID 102442711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).