N-(1,3-benzothiazol-2-yl)-1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxamide

C24H17N3O3S — CID 54712910

IUPACN-(1,3-benzothiazol-2-yl)-1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C24H17N3O3S/c28-21-16-10-4-6-12-18(16)27(14-15-8-2-1-3-9-15)23(30)20(21)22(29)26-24-25-17-11-5-7-13-19(17)31-24/h1-13,28H,14H2,(H,25,26,29)
InChIKeyUDAOUOYTDMADRZ-UHFFFAOYSA-N
MW427.49 g/mol
LogP4.62
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxamide

N-(1,3-benzothiazol-2-yl)-1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxamide (PubChem CID 54712910) has the molecular formula C24H17N3O3S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxamide
PubChem CID54712910
Molecular FormulaC24H17N3O3S
Molecular Weight427.49 g/mol
Exact Mass427.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C24H17N3O3S/c28-21-16-10-4-6-12-18(16)27(14-15-8-2-1-3-9-15)23(30)20(21)22(29)26-24-25-17-11-5-7-13-19(17)31-24/h1-13,28H,14H2,(H,25,26,29)
InChIKeyUDAOUOYTDMADRZ-UHFFFAOYSA-N
XLogP4.62
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54699020
1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
CID 54726736
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-3-carboxamide
CID 54680225
N-(1,3-benzothiazol-2-yl)-2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46925503
1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54679776
1-ethyl-4-hydroxy-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide
CID 162645930
1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685643
1-ethyl-4-hydroxy-2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
CID 54687824
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 162670092
1-ethyl-4-hydroxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoquinoline-3-carboxamide
CID 54680308
1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide
CID 54690333
ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 54711837

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxamide (CID 54712910) is N-(1,3-benzothiazol-2-yl)-1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxamide is O=C(Nc1nc2ccccc2s1)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The InChIKey is UDAOUOYTDMADRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3S/c28-21-16-10-4-6-12-18(16)27(14-15-8-2-1-3-9-15)23(30)20(21)22(29)26-24-25-17-11-5-7-13-19(17)31-24/h1-13,28H,14H2,(H,25,26,29).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxamide has a molecular weight of 427.49 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54712910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).