2-pyridin-4-yl-7-quinolin-8-yl-5H-thieno[3,2-c]pyridin-4-one

C21H13N3OS — CID 56670463

IUPAC2-pyridin-4-yl-7-quinolin-8-yl-5H-thieno[3,2-c]pyridin-4-one
SMILESO=c1[nH]cc(-c2cccc3cccnc23)c2sc(-c3ccncc3)cc12
InChIInChI=1S/C21H13N3OS/c25-21-16-11-18(13-6-9-22-10-7-13)26-20(16)17(12-24-21)15-5-1-3-14-4-2-8-23-19(14)15/h1-12H,(H,24,25)
InChIKeyZFBKXLJPSOHGSJ-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.87
Rot. Bonds2

About 2-pyridin-4-yl-7-quinolin-8-yl-5H-thieno[3,2-c]pyridin-4-one

2-pyridin-4-yl-7-quinolin-8-yl-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 56670463) has the molecular formula C21H13N3OS and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-pyridin-4-yl-7-quinolin-8-yl-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-pyridin-4-yl-7-quinolin-8-yl-5H-thieno[3,2-c]pyridin-4-one
PubChem CID56670463
Molecular FormulaC21H13N3OS
Molecular Weight355.42 g/mol
Exact Mass355.08
IUPAC Name2-pyridin-4-yl-7-quinolin-8-yl-5H-thieno[3,2-c]pyridin-4-one
SMILESO=c1[nH]cc(-c2cccc3cccnc23)c2sc(-c3ccncc3)cc12
InChIInChI=1S/C21H13N3OS/c25-21-16-11-18(13-6-9-22-10-7-13)26-20(16)17(12-24-21)15-5-1-3-14-4-2-8-23-19(14)15/h1-12H,(H,24,25)
InChIKeyZFBKXLJPSOHGSJ-UHFFFAOYSA-N
XLogP4.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-7-quinolin-8-yl-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 2-pyridin-4-yl-7-quinolin-8-yl-5H-thieno[3,2-c]pyridin-4-one (CID 56670463) is 2-pyridin-4-yl-7-quinolin-8-yl-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-pyridin-4-yl-7-quinolin-8-yl-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 2-pyridin-4-yl-7-quinolin-8-yl-5H-thieno[3,2-c]pyridin-4-one is O=c1[nH]cc(-c2cccc3cccnc23)c2sc(-c3ccncc3)cc12.
What is the InChIKey of 2-pyridin-4-yl-7-quinolin-8-yl-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is ZFBKXLJPSOHGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3OS/c25-21-16-11-18(13-6-9-22-10-7-13)26-20(16)17(12-24-21)15-5-1-3-14-4-2-8-23-19(14)15/h1-12H,(H,24,25).
What are the key properties of 2-pyridin-4-yl-7-quinolin-8-yl-5H-thieno[3,2-c]pyridin-4-one?
2-pyridin-4-yl-7-quinolin-8-yl-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 355.42 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-7-quinolin-8-yl-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 56670463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).