4-hydroxy-5-(2-hydroxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one

C20H15NO3S — CID 66936652

IUPAC4-hydroxy-5-(2-hydroxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESCc1sc2[nH]c(=O)c(-c3ccccc3O)c(O)c2c1-c1ccccc1
InChIInChI=1S/C20H15NO3S/c1-11-15(12-7-3-2-4-8-12)17-18(23)16(19(24)21-20(17)25-11)13-9-5-6-10-14(13)22/h2-10,22H,1H3,(H2,21,23,24)
InChIKeySQBFRTRZGQQHLQ-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.64
Rot. Bonds2

About 4-hydroxy-5-(2-hydroxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one

4-hydroxy-5-(2-hydroxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 66936652) has the molecular formula C20H15NO3S and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-hydroxy-5-(2-hydroxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(2-hydroxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID66936652
Molecular FormulaC20H15NO3S
Molecular Weight349.41 g/mol
Exact Mass349.08
IUPAC Name4-hydroxy-5-(2-hydroxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESCc1sc2[nH]c(=O)c(-c3ccccc3O)c(O)c2c1-c1ccccc1
InChIInChI=1S/C20H15NO3S/c1-11-15(12-7-3-2-4-8-12)17-18(23)16(19(24)21-20(17)25-11)13-9-5-6-10-14(13)22/h2-10,22H,1H3,(H2,21,23,24)
InChIKeySQBFRTRZGQQHLQ-UHFFFAOYSA-N
XLogP4.64
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(2-hydroxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-5-(2-hydroxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one (CID 66936652) is 4-hydroxy-5-(2-hydroxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-5-(2-hydroxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-5-(2-hydroxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one is Cc1sc2[nH]c(=O)c(-c3ccccc3O)c(O)c2c1-c1ccccc1.
What is the InChIKey of 4-hydroxy-5-(2-hydroxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is SQBFRTRZGQQHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3S/c1-11-15(12-7-3-2-4-8-12)17-18(23)16(19(24)21-20(17)25-11)13-9-5-6-10-14(13)22/h2-10,22H,1H3,(H2,21,23,24).
What are the key properties of 4-hydroxy-5-(2-hydroxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one?
4-hydroxy-5-(2-hydroxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 349.41 g/mol, XLogP of 4.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(2-hydroxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 66936652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).