2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-quinolin-8-ylacetamide

C19H14ClN3O2S — CID 24566416

IUPAC2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-quinolin-8-ylacetamide
SMILESO=C(CC1Sc2ccc(Cl)cc2NC1=O)Nc1cccc2cccnc12
InChIInChI=1S/C19H14ClN3O2S/c20-12-6-7-15-14(9-12)23-19(25)16(26-15)10-17(24)22-13-5-1-3-11-4-2-8-21-18(11)13/h1-9,16H,10H2,(H,22,24)(H,23,25)
InChIKeyDDXSAVUHEWLJKH-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.33
Rot. Bonds3

About 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-quinolin-8-ylacetamide

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-quinolin-8-ylacetamide (PubChem CID 24566416) has the molecular formula C19H14ClN3O2S and a molecular weight of 383.86 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-quinolin-8-ylacetamide
PubChem CID24566416
Molecular FormulaC19H14ClN3O2S
Molecular Weight383.86 g/mol
Exact Mass383.05
IUPAC Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-quinolin-8-ylacetamide
SMILESO=C(CC1Sc2ccc(Cl)cc2NC1=O)Nc1cccc2cccnc12
InChIInChI=1S/C19H14ClN3O2S/c20-12-6-7-15-14(9-12)23-19(25)16(26-15)10-17(24)22-13-5-1-3-11-4-2-8-21-18(11)13/h1-9,16H,10H2,(H,22,24)(H,23,25)
InChIKeyDDXSAVUHEWLJKH-UHFFFAOYSA-N
XLogP4.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 55991295
ethyl 2-[[2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate
CID 1188525
ethyl 2-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate
CID 2918421
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 134037676
N-(4-chloro-2-fluorophenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9211540
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-pyridin-3-ylethyl)acetamide
CID 16613109
3-[[2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]-N,N-diethylbenzamide
CID 32824641
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide
CID 55958118
2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(4-nitrophenyl)acetamide
CID 7220977
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 55636640
N-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2945832
2-(2,4-dichlorophenoxy)-N-quinolin-8-ylacetamide
CID 2180532

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-quinolin-8-ylacetamide?
The IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-quinolin-8-ylacetamide (CID 24566416) is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-quinolin-8-ylacetamide is O=C(CC1Sc2ccc(Cl)cc2NC1=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-quinolin-8-ylacetamide?
The InChIKey is DDXSAVUHEWLJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2S/c20-12-6-7-15-14(9-12)23-19(25)16(26-15)10-17(24)22-13-5-1-3-11-4-2-8-21-18(11)13/h1-9,16H,10H2,(H,22,24)(H,23,25).
What are the key properties of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-quinolin-8-ylacetamide?
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-quinolin-8-ylacetamide has a molecular weight of 383.86 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-quinolin-8-ylacetamide is sourced from PubChem (CID 24566416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).