3-ethyl-4-hydroxy-2-methyl-5-(2-methylphenyl)-7-prop-2-ynylthieno[2,3-b]pyridin-6-one

C20H19NO2S — CID 87068142

IUPAC3-ethyl-4-hydroxy-2-methyl-5-(2-methylphenyl)-7-prop-2-ynylthieno[2,3-b]pyridin-6-one
SMILESC#CCn1c(=O)c(-c2ccccc2C)c(O)c2c(CC)c(C)sc21
InChIInChI=1S/C20H19NO2S/c1-5-11-21-19(23)16(15-10-8-7-9-12(15)3)18(22)17-14(6-2)13(4)24-20(17)21/h1,7-10,22H,6,11H2,2-4H3
InChIKeyJDNKLVJWSROTNI-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.25
Rot. Bonds3

About 3-ethyl-4-hydroxy-2-methyl-5-(2-methylphenyl)-7-prop-2-ynylthieno[2,3-b]pyridin-6-one

3-ethyl-4-hydroxy-2-methyl-5-(2-methylphenyl)-7-prop-2-ynylthieno[2,3-b]pyridin-6-one (PubChem CID 87068142) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-2-methyl-5-(2-methylphenyl)-7-prop-2-ynylthieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-2-methyl-5-(2-methylphenyl)-7-prop-2-ynylthieno[2,3-b]pyridin-6-one
PubChem CID87068142
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name3-ethyl-4-hydroxy-2-methyl-5-(2-methylphenyl)-7-prop-2-ynylthieno[2,3-b]pyridin-6-one
SMILESC#CCn1c(=O)c(-c2ccccc2C)c(O)c2c(CC)c(C)sc21
InChIInChI=1S/C20H19NO2S/c1-5-11-21-19(23)16(15-10-8-7-9-12(15)3)18(22)17-14(6-2)13(4)24-20(17)21/h1,7-10,22H,6,11H2,2-4H3
InChIKeyJDNKLVJWSROTNI-UHFFFAOYSA-N
XLogP4.25
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynylthieno[3,2-b]pyridin-5-one;yttrium
CID 160655599
carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynyl-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one;yttrium
CID 159411297
2-ethyl-7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 66600378
carbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium
CID 159252129
carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium
CID 159059892
2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 66600132
carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 162070584
4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]oxazolo[5,4-b]pyridin-5-one
CID 66600089
ethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene
CID 144910624
carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 160942254
2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
CID 59400696
4-hydroxy-3-methylsulfinyl-1-prop-2-ynylquinolin-2-one
CID 54724801

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxy-2-methyl-5-(2-methylphenyl)-7-prop-2-ynylthieno[2,3-b]pyridin-6-one?
The IUPAC name of 3-ethyl-4-hydroxy-2-methyl-5-(2-methylphenyl)-7-prop-2-ynylthieno[2,3-b]pyridin-6-one (CID 87068142) is 3-ethyl-4-hydroxy-2-methyl-5-(2-methylphenyl)-7-prop-2-ynylthieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 3-ethyl-4-hydroxy-2-methyl-5-(2-methylphenyl)-7-prop-2-ynylthieno[2,3-b]pyridin-6-one?
The canonical SMILES for 3-ethyl-4-hydroxy-2-methyl-5-(2-methylphenyl)-7-prop-2-ynylthieno[2,3-b]pyridin-6-one is C#CCn1c(=O)c(-c2ccccc2C)c(O)c2c(CC)c(C)sc21.
What is the InChIKey of 3-ethyl-4-hydroxy-2-methyl-5-(2-methylphenyl)-7-prop-2-ynylthieno[2,3-b]pyridin-6-one?
The InChIKey is JDNKLVJWSROTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-5-11-21-19(23)16(15-10-8-7-9-12(15)3)18(22)17-14(6-2)13(4)24-20(17)21/h1,7-10,22H,6,11H2,2-4H3.
What are the key properties of 3-ethyl-4-hydroxy-2-methyl-5-(2-methylphenyl)-7-prop-2-ynylthieno[2,3-b]pyridin-6-one?
3-ethyl-4-hydroxy-2-methyl-5-(2-methylphenyl)-7-prop-2-ynylthieno[2,3-b]pyridin-6-one has a molecular weight of 337.44 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-2-methyl-5-(2-methylphenyl)-7-prop-2-ynylthieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 87068142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).