6-chloro-3-[[(5-fluoro-1,2,3-benzothiadiazol-6-yl)amino]methyl]-1H-quinolin-2-one

C16H10ClFN4OS — CID 122637177

IUPAC6-chloro-3-[[(5-fluoro-1,2,3-benzothiadiazol-6-yl)amino]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2cc1CNc1cc2snnc2cc1F
InChIInChI=1S/C16H10ClFN4OS/c17-10-1-2-12-8(4-10)3-9(16(23)20-12)7-19-13-6-15-14(5-11(13)18)21-22-24-15/h1-6,19H,7H2,(H,20,23)
InChIKeyFWCAXFUCNUPHGX-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.94
Rot. Bonds3

About 6-chloro-3-[[(5-fluoro-1,2,3-benzothiadiazol-6-yl)amino]methyl]-1H-quinolin-2-one

6-chloro-3-[[(5-fluoro-1,2,3-benzothiadiazol-6-yl)amino]methyl]-1H-quinolin-2-one (PubChem CID 122637177) has the molecular formula C16H10ClFN4OS and a molecular weight of 360.80 g/mol. Its IUPAC name is 6-chloro-3-[[(5-fluoro-1,2,3-benzothiadiazol-6-yl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[[(5-fluoro-1,2,3-benzothiadiazol-6-yl)amino]methyl]-1H-quinolin-2-one
PubChem CID122637177
Molecular FormulaC16H10ClFN4OS
Molecular Weight360.80 g/mol
Exact Mass360.02
IUPAC Name6-chloro-3-[[(5-fluoro-1,2,3-benzothiadiazol-6-yl)amino]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2cc1CNc1cc2snnc2cc1F
InChIInChI=1S/C16H10ClFN4OS/c17-10-1-2-12-8(4-10)3-9(16(23)20-12)7-19-13-6-15-14(5-11(13)18)21-22-24-15/h1-6,19H,7H2,(H,20,23)
InChIKeyFWCAXFUCNUPHGX-UHFFFAOYSA-N
XLogP3.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(5-fluoro-1,2,3-benzothiadiazol-6-yl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[[(5-fluoro-1,2,3-benzothiadiazol-6-yl)amino]methyl]-1H-quinolin-2-one (CID 122637177) is 6-chloro-3-[[(5-fluoro-1,2,3-benzothiadiazol-6-yl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[[(5-fluoro-1,2,3-benzothiadiazol-6-yl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[[(5-fluoro-1,2,3-benzothiadiazol-6-yl)amino]methyl]-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2cc1CNc1cc2snnc2cc1F.
What is the InChIKey of 6-chloro-3-[[(5-fluoro-1,2,3-benzothiadiazol-6-yl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is FWCAXFUCNUPHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN4OS/c17-10-1-2-12-8(4-10)3-9(16(23)20-12)7-19-13-6-15-14(5-11(13)18)21-22-24-15/h1-6,19H,7H2,(H,20,23).
What are the key properties of 6-chloro-3-[[(5-fluoro-1,2,3-benzothiadiazol-6-yl)amino]methyl]-1H-quinolin-2-one?
6-chloro-3-[[(5-fluoro-1,2,3-benzothiadiazol-6-yl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 360.80 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(5-fluoro-1,2,3-benzothiadiazol-6-yl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 122637177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).