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

C23H18ClNO2S — CID 141383952

IUPAC2-chloro-3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sc(Cl)c(-c3ccc4c(c3O)CCCC4)c2cc1-c1ccccc1
InChIInChI=1S/C23H18ClNO2S/c24-21-19(16-11-10-14-8-4-5-9-15(14)20(16)26)18-12-17(13-6-2-1-3-7-13)22(27)25-23(18)28-21/h1-3,6-7,10-12,26H,4-5,8-9H2,(H,25,27)
InChIKeyVVVNYMWSDMWPAX-UHFFFAOYSA-N
MW407.92 g/mol
LogP6.16
Rot. Bonds2

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

2-chloro-3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 141383952) has the molecular formula C23H18ClNO2S and a molecular weight of 407.92 g/mol. Its IUPAC name is 2-chloro-3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2-chloro-3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID141383952
Molecular FormulaC23H18ClNO2S
Molecular Weight407.92 g/mol
Exact Mass407.07
IUPAC Name2-chloro-3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sc(Cl)c(-c3ccc4c(c3O)CCCC4)c2cc1-c1ccccc1
InChIInChI=1S/C23H18ClNO2S/c24-21-19(16-11-10-14-8-4-5-9-15(14)20(16)26)18-12-17(13-6-2-1-3-7-13)22(27)25-23(18)28-21/h1-3,6-7,10-12,26H,4-5,8-9H2,(H,25,27)
InChIKeyVVVNYMWSDMWPAX-UHFFFAOYSA-N
XLogP6.16
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.92
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 150847290
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
2-chloro-3-(3-fluoro-2-hydroxy-4-methylphenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 54747241
2-chloro-4-hydroxy-3-(2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 66936459
2-chloro-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one
CID 72715312
2-chloro-5-(4-chlorophenyl)-4-hydroxy-3-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 66936730
2-chloro-3-(5-fluoro-2-hydroxyphenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 54747324
2-chloro-4-hydroxy-3-phenyl-5-thiophen-3-yl-7H-thieno[2,3-b]pyridin-6-one
CID 66936731
2-chloro-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 54702832
2-chloro-4-hydroxy-3-phenyl-5-thiophen-2-yl-7H-thieno[2,3-b]pyridin-6-one
CID 66936722
4-(2-chloro-4-hydroxy-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl)-N-methylbenzamide
CID 54747271

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 2-chloro-3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one (CID 141383952) is 2-chloro-3-(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 2-chloro-3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 2-chloro-3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one is O=c1[nH]c2sc(Cl)c(-c3ccc4c(c3O)CCCC4)c2cc1-c1ccccc1.
What is the InChIKey of 2-chloro-3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is VVVNYMWSDMWPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO2S/c24-21-19(16-11-10-14-8-4-5-9-15(14)20(16)26)18-12-17(13-6-2-1-3-7-13)22(27)25-23(18)28-21/h1-3,6-7,10-12,26H,4-5,8-9H2,(H,25,27).
What are the key properties of 2-chloro-3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
2-chloro-3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 407.92 g/mol, XLogP of 6.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 141383952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).