4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2,1,3-benzoxadiazole

C16H14FN3O3S — CID 17374314

IUPAC4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2,1,3-benzoxadiazole
SMILESCC1CCc2cc(F)ccc2N1S(=O)(=O)c1cccc2nonc12
InChIInChI=1S/C16H14FN3O3S/c1-10-5-6-11-9-12(17)7-8-14(11)20(10)24(21,22)15-4-2-3-13-16(15)19-23-18-13/h2-4,7-10H,5-6H2,1H3
InChIKeyZYHLSZFZESQFHO-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.89
Rot. Bonds2

About 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2,1,3-benzoxadiazole

4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2,1,3-benzoxadiazole (PubChem CID 17374314) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2,1,3-benzoxadiazole
PubChem CID17374314
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2,1,3-benzoxadiazole
SMILESCC1CCc2cc(F)ccc2N1S(=O)(=O)c1cccc2nonc12
InChIInChI=1S/C16H14FN3O3S/c1-10-5-6-11-9-12(17)7-8-14(11)20(10)24(21,22)15-4-2-3-13-16(15)19-23-18-13/h2-4,7-10H,5-6H2,1H3
InChIKeyZYHLSZFZESQFHO-UHFFFAOYSA-N
XLogP2.89
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diazox_sulfon_A(36)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2,1,3-benzoxadiazole?
The IUPAC name of 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2,1,3-benzoxadiazole (CID 17374314) is 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2,1,3-benzoxadiazole?
The canonical SMILES for 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2,1,3-benzoxadiazole is CC1CCc2cc(F)ccc2N1S(=O)(=O)c1cccc2nonc12.
What is the InChIKey of 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2,1,3-benzoxadiazole?
The InChIKey is ZYHLSZFZESQFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-10-5-6-11-9-12(17)7-8-14(11)20(10)24(21,22)15-4-2-3-13-16(15)19-23-18-13/h2-4,7-10H,5-6H2,1H3.
What are the key properties of 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2,1,3-benzoxadiazole?
4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2,1,3-benzoxadiazole has a molecular weight of 347.37 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2,1,3-benzoxadiazole is sourced from PubChem (CID 17374314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).