8-hydroxy-9-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5H-thieno[2,3-c]quinolin-4-one

C17H10N4O2S — CID 53472847

IUPAC8-hydroxy-9-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5H-thieno[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2ccc(O)c(-c3ccc4ncnn4c3)c2c2ccsc12
InChIInChI=1S/C17H10N4O2S/c22-12-3-2-11-15(10-5-6-24-16(10)17(23)20-11)14(12)9-1-4-13-18-8-19-21(13)7-9/h1-8,22H,(H,20,23)
InChIKeyXKHJBWKVBOJETO-UHFFFAOYSA-N
MW334.36 g/mol
LogP3.16
Rot. Bonds1

About 8-hydroxy-9-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5H-thieno[2,3-c]quinolin-4-one

8-hydroxy-9-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 53472847) has the molecular formula C17H10N4O2S and a molecular weight of 334.36 g/mol. Its IUPAC name is 8-hydroxy-9-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name8-hydroxy-9-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5H-thieno[2,3-c]quinolin-4-one
PubChem CID53472847
Molecular FormulaC17H10N4O2S
Molecular Weight334.36 g/mol
Exact Mass334.05
IUPAC Name8-hydroxy-9-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5H-thieno[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2ccc(O)c(-c3ccc4ncnn4c3)c2c2ccsc12
InChIInChI=1S/C17H10N4O2S/c22-12-3-2-11-15(10-5-6-24-16(10)17(23)20-11)14(12)9-1-4-13-18-8-19-21(13)7-9/h1-8,22H,(H,20,23)
InChIKeyXKHJBWKVBOJETO-UHFFFAOYSA-N
XLogP3.16
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-hydroxy-9-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5H-thieno[2,3-c]quinolin-4-one with MolForge

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Related Compounds

4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)benzonitrile
CID 67449491
9-[4-(1-aminoethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67447133
8-hydroxy-9-[4-[(propan-2-ylideneamino)methyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 123968671
9-[4-(2-aminoethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 67448385
9-(4-chloro-3-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 53472668
4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide
CID 67447501
9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448290
8-hydroxy-4-oxo-9-[4-[(sulfinatoamino)methyl]phenyl]-5H-thieno[2,3-c]quinoline
CID 118234989
8-hydroxy-9-[4-(3-piperidin-1-ylpropyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 158236634
9-[4-[(2S)-1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450831
9-[4-(4-aminobutan-2-yl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 67450109
N-[2-hydroxy-4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methanesulfonamide
CID 67450562

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-9-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 8-hydroxy-9-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5H-thieno[2,3-c]quinolin-4-one (CID 53472847) is 8-hydroxy-9-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 8-hydroxy-9-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 8-hydroxy-9-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5H-thieno[2,3-c]quinolin-4-one is O=c1[nH]c2ccc(O)c(-c3ccc4ncnn4c3)c2c2ccsc12.
What is the InChIKey of 8-hydroxy-9-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is XKHJBWKVBOJETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4O2S/c22-12-3-2-11-15(10-5-6-24-16(10)17(23)20-11)14(12)9-1-4-13-18-8-19-21(13)7-9/h1-8,22H,(H,20,23).
What are the key properties of 8-hydroxy-9-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5H-thieno[2,3-c]quinolin-4-one?
8-hydroxy-9-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 334.36 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-9-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 53472847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).