N-(6-chloro-1,3-benzothiazol-2-yl)-2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetamide

C19H13ClFN3O2S — CID 43833252

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetamide
SMILESCc1cc(=O)c2cccc(F)c2n1CC(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C19H13ClFN3O2S/c1-10-7-15(25)12-3-2-4-13(21)18(12)24(10)9-17(26)23-19-22-14-6-5-11(20)8-16(14)27-19/h2-8H,9H2,1H3,(H,22,23,26)
InChIKeyLPOSBZYFIYILGN-UHFFFAOYSA-N
MW401.85 g/mol
LogP4.35
Rot. Bonds3

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetamide (PubChem CID 43833252) has the molecular formula C19H13ClFN3O2S and a molecular weight of 401.85 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetamide
PubChem CID43833252
Molecular FormulaC19H13ClFN3O2S
Molecular Weight401.85 g/mol
Exact Mass401.04
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetamide
SMILESCc1cc(=O)c2cccc(F)c2n1CC(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C19H13ClFN3O2S/c1-10-7-15(25)12-3-2-4-13(21)18(12)24(10)9-17(26)23-19-22-14-6-5-11(20)8-16(14)27-19/h2-8H,9H2,1H3,(H,22,23,26)
InChIKeyLPOSBZYFIYILGN-UHFFFAOYSA-N
XLogP4.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetamide (CID 43833252) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetamide is Cc1cc(=O)c2cccc(F)c2n1CC(=O)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetamide?
The InChIKey is LPOSBZYFIYILGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O2S/c1-10-7-15(25)12-3-2-4-13(21)18(12)24(10)9-17(26)23-19-22-14-6-5-11(20)8-16(14)27-19/h2-8H,9H2,1H3,(H,22,23,26).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetamide has a molecular weight of 401.85 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 43833252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).