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

C19H15N3O3S — CID 54682061

IUPACN-(1,3-benzothiazol-2-yl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2nc3ccccc3s2)c(O)c2ccccc21
InChIInChI=1S/C19H15N3O3S/c1-2-22-13-9-5-3-7-11(13)16(23)15(18(22)25)17(24)21-19-20-12-8-4-6-10-14(12)26-19/h3-10,23H,2H2,1H3,(H,20,21,24)
InChIKeyADARCKJODGRFRF-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.59
Rot. Bonds3

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

N-(1,3-benzothiazol-2-yl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide (PubChem CID 54682061) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
PubChem CID54682061
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2nc3ccccc3s2)c(O)c2ccccc21
InChIInChI=1S/C19H15N3O3S/c1-2-22-13-9-5-3-7-11(13)16(23)15(18(22)25)17(24)21-19-20-12-8-4-6-10-14(12)26-19/h3-10,23H,2H2,1H3,(H,20,21,24)
InChIKeyADARCKJODGRFRF-UHFFFAOYSA-N
XLogP3.59
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide (CID 54682061) is N-(1,3-benzothiazol-2-yl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide is CCn1c(=O)c(C(=O)Nc2nc3ccccc3s2)c(O)c2ccccc21.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The InChIKey is ADARCKJODGRFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-2-22-13-9-5-3-7-11(13)16(23)15(18(22)25)17(24)21-19-20-12-8-4-6-10-14(12)26-19/h3-10,23H,2H2,1H3,(H,20,21,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.59, 3 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-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54682061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).