4-hydroxy-2-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one

C23H19NO3S — CID 150847290

IUPAC4-hydroxy-2-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sc(-c3ccc4c(c3O)CCCC4)cc2c(O)c1-c1ccccc1
InChIInChI=1S/C23H19NO3S/c25-20-15-9-5-4-6-13(15)10-11-16(20)18-12-17-21(26)19(14-7-2-1-3-8-14)22(27)24-23(17)28-18/h1-3,7-8,10-12,25H,4-6,9H2,(H2,24,26,27)
InChIKeyKPGVDOWPXKCNLH-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.21
Rot. Bonds2

About 4-hydroxy-2-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one

4-hydroxy-2-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 150847290) has the molecular formula C23H19NO3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-hydroxy-2-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID150847290
Molecular FormulaC23H19NO3S
Molecular Weight389.48 g/mol
Exact Mass389.11
IUPAC Name4-hydroxy-2-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sc(-c3ccc4c(c3O)CCCC4)cc2c(O)c1-c1ccccc1
InChIInChI=1S/C23H19NO3S/c25-20-15-9-5-4-6-13(15)10-11-16(20)18-12-17-21(26)19(14-7-2-1-3-8-14)22(27)24-23(17)28-18/h1-3,7-8,10-12,25H,4-6,9H2,(H2,24,26,27)
InChIKeyKPGVDOWPXKCNLH-UHFFFAOYSA-N
XLogP5.21
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 141383952
2-chloro-5-(3-fluorophenyl)-4-hydroxy-3-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)-7H-thieno[2,3-b]pyridin-6-one
CID 72715311
disodium;2-chloro-3-(1-oxido-5,6,7,8-tetrahydronaphthalen-2-yl)-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-4-olate
CID 72700731
(4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl) 4-phenylbenzoate
CID 174632078
2-chloro-4-hydroxy-3-(2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 66936459
4-hydroxy-3,8-diphenyl-1H-quinolin-2-one
CID 54705759
4-hydroxy-2-oxo-3-phenyl-1H-quinoline-6-carboxylic acid
CID 54737899
4,8-dihydroxy-3-phenyl-1H-quinolin-2-one
CID 110272879
4-hydroxy-3-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 54695659
4-hydroxy-8-methyl-3-phenyl-1H-quinolin-2-one
CID 54705757
2-chloro-3-(3-fluoro-2-hydroxy-4-methylphenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 54747241
4-hydroxy-6-oxo-3,5-diphenyl-7H-thieno[2,3-b]pyridine-2-carboxamide
CID 66936094

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-2-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one (CID 150847290) is 4-hydroxy-2-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one is O=c1[nH]c2sc(-c3ccc4c(c3O)CCCC4)cc2c(O)c1-c1ccccc1.
What is the InChIKey of 4-hydroxy-2-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is KPGVDOWPXKCNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3S/c25-20-15-9-5-4-6-13(15)10-11-16(20)18-12-17-21(26)19(14-7-2-1-3-8-14)22(27)24-23(17)28-18/h1-3,7-8,10-12,25H,4-6,9H2,(H2,24,26,27).
What are the key properties of 4-hydroxy-2-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
4-hydroxy-2-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 389.48 g/mol, XLogP of 5.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 150847290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).