N-(1,3-benzothiazol-2-yl)-6-hydroxy-2-oxo-1H-quinoline-4-carboxamide

C17H11N3O3S — CID 171348214

IUPACN-(1,3-benzothiazol-2-yl)-6-hydroxy-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cc(=O)[nH]c2ccc(O)cc12
InChIInChI=1S/C17H11N3O3S/c21-9-5-6-12-10(7-9)11(8-15(22)18-12)16(23)20-17-19-13-3-1-2-4-14(13)24-17/h1-8,21H,(H,18,22)(H,19,20,23)
InChIKeyUPNMNMRUJRVZCT-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.10
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-6-hydroxy-2-oxo-1H-quinoline-4-carboxamide

N-(1,3-benzothiazol-2-yl)-6-hydroxy-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 171348214) has the molecular formula C17H11N3O3S and a molecular weight of 337.36 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-6-hydroxy-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-6-hydroxy-2-oxo-1H-quinoline-4-carboxamide
PubChem CID171348214
Molecular FormulaC17H11N3O3S
Molecular Weight337.36 g/mol
Exact Mass337.05
IUPAC NameN-(1,3-benzothiazol-2-yl)-6-hydroxy-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cc(=O)[nH]c2ccc(O)cc12
InChIInChI=1S/C17H11N3O3S/c21-9-5-6-12-10(7-9)11(8-15(22)18-12)16(23)20-17-19-13-3-1-2-4-14(13)24-17/h1-8,21H,(H,18,22)(H,19,20,23)
InChIKeyUPNMNMRUJRVZCT-UHFFFAOYSA-N
XLogP3.10
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
CID 106501274
2-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-quinoline-4-carboxamide
CID 7872514
N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744
N-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide
CID 43397690
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 31155584
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 4787571
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 45482651
2-amino-N-(1,3-benzothiazol-2-yl)-4-bromobenzamide
CID 79713852
N-(1,3-benzothiazol-2-yl)-5-bromo-2,3,4-trimethylbenzamide
CID 23804633

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-6-hydroxy-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-6-hydroxy-2-oxo-1H-quinoline-4-carboxamide (CID 171348214) is N-(1,3-benzothiazol-2-yl)-6-hydroxy-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-6-hydroxy-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-6-hydroxy-2-oxo-1H-quinoline-4-carboxamide is O=C(Nc1nc2ccccc2s1)c1cc(=O)[nH]c2ccc(O)cc12.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-6-hydroxy-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is UPNMNMRUJRVZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3S/c21-9-5-6-12-10(7-9)11(8-15(22)18-12)16(23)20-17-19-13-3-1-2-4-14(13)24-17/h1-8,21H,(H,18,22)(H,19,20,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-6-hydroxy-2-oxo-1H-quinoline-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-6-hydroxy-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-6-hydroxy-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 171348214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).