3-(3-oxo-1,4-benzothiazin-4-yl)-N-quinolin-3-ylpropanamide

C20H17N3O2S — CID 31031128

IUPAC3-(3-oxo-1,4-benzothiazin-4-yl)-N-quinolin-3-ylpropanamide
SMILESO=C(CCN1C(=O)CSc2ccccc21)Nc1cnc2ccccc2c1
InChIInChI=1S/C20H17N3O2S/c24-19(22-15-11-14-5-1-2-6-16(14)21-12-15)9-10-23-17-7-3-4-8-18(17)26-13-20(23)25/h1-8,11-12H,9-10,13H2,(H,22,24)
InChIKeyGUWORJCNLMVMKG-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.70
Rot. Bonds4

About 3-(3-oxo-1,4-benzothiazin-4-yl)-N-quinolin-3-ylpropanamide

3-(3-oxo-1,4-benzothiazin-4-yl)-N-quinolin-3-ylpropanamide (PubChem CID 31031128) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-(3-oxo-1,4-benzothiazin-4-yl)-N-quinolin-3-ylpropanamide.

Molecular Properties

Compound Name3-(3-oxo-1,4-benzothiazin-4-yl)-N-quinolin-3-ylpropanamide
PubChem CID31031128
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name3-(3-oxo-1,4-benzothiazin-4-yl)-N-quinolin-3-ylpropanamide
SMILESO=C(CCN1C(=O)CSc2ccccc21)Nc1cnc2ccccc2c1
InChIInChI=1S/C20H17N3O2S/c24-19(22-15-11-14-5-1-2-6-16(14)21-12-15)9-10-23-17-7-3-4-8-18(17)26-13-20(23)25/h1-8,11-12H,9-10,13H2,(H,22,24)
InChIKeyGUWORJCNLMVMKG-UHFFFAOYSA-N
XLogP3.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9210880
N-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9210299
3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide
CID 170640017
3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-quinolin-3-ylpropanamide
CID 31030904
N-[4-(1H-imidazol-2-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 170639935
N,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide
CID 29331567
N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9192811
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 16563427
N-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9328731
ethyl 3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoate
CID 34202240
N-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 27667405
3-(3-oxo-1,4-benzothiazin-4-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 46644184

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-quinolin-3-ylpropanamide?
The IUPAC name of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-quinolin-3-ylpropanamide (CID 31031128) is 3-(3-oxo-1,4-benzothiazin-4-yl)-N-quinolin-3-ylpropanamide.
What is the SMILES notation for 3-(3-oxo-1,4-benzothiazin-4-yl)-N-quinolin-3-ylpropanamide?
The canonical SMILES for 3-(3-oxo-1,4-benzothiazin-4-yl)-N-quinolin-3-ylpropanamide is O=C(CCN1C(=O)CSc2ccccc21)Nc1cnc2ccccc2c1.
What is the InChIKey of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-quinolin-3-ylpropanamide?
The InChIKey is GUWORJCNLMVMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c24-19(22-15-11-14-5-1-2-6-16(14)21-12-15)9-10-23-17-7-3-4-8-18(17)26-13-20(23)25/h1-8,11-12H,9-10,13H2,(H,22,24).
What are the key properties of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-quinolin-3-ylpropanamide?
3-(3-oxo-1,4-benzothiazin-4-yl)-N-quinolin-3-ylpropanamide has a molecular weight of 363.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-1,4-benzothiazin-4-yl)-N-quinolin-3-ylpropanamide is sourced from PubChem (CID 31031128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).