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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Related Compounds

Pyrrolopyridine, 15
CID 16719976
N-ethyl-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 57397762
N,N-dimethyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 57399429
Benzo[b]thiophen-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606339
N-(3-methylbutyl)-2-thien-2-ylquinoline-4-carboxamide
CID 4227699
N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2052939
2-Pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one
CID 54764920
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(6-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 71714533
N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 2571989
2-(5-methyl-2-thienyl)-N'-[1-(3-pyridinyl)ethylidene]-4-quinolinecarbohydrazide
CID 5454993
N'-[(E)-2-thienylmethylidene]-6-quinolinecarbohydrazide
CID 9559901
5-Ethyl-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24819750

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).