3-methyl-2-oxo-N-quinolin-8-yl-1,3-benzoxazole-6-sulfonamide

C17H13N3O4S — CID 30713861

IUPAC3-methyl-2-oxo-N-quinolin-8-yl-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc4cccnc34)ccc21
InChIInChI=1S/C17H13N3O4S/c1-20-14-8-7-12(10-15(14)24-17(20)21)25(22,23)19-13-6-2-4-11-5-3-9-18-16(11)13/h2-10,19H,1H3
InChIKeyZDTIBBOEMAUHID-UHFFFAOYSA-N
MW355.38 g/mol
LogP2.48
Rot. Bonds3

About 3-methyl-2-oxo-N-quinolin-8-yl-1,3-benzoxazole-6-sulfonamide

3-methyl-2-oxo-N-quinolin-8-yl-1,3-benzoxazole-6-sulfonamide (PubChem CID 30713861) has the molecular formula C17H13N3O4S and a molecular weight of 355.38 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-quinolin-8-yl-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-quinolin-8-yl-1,3-benzoxazole-6-sulfonamide
PubChem CID30713861
Molecular FormulaC17H13N3O4S
Molecular Weight355.38 g/mol
Exact Mass355.06
IUPAC Name3-methyl-2-oxo-N-quinolin-8-yl-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc4cccnc34)ccc21
InChIInChI=1S/C17H13N3O4S/c1-20-14-8-7-12(10-15(14)24-17(20)21)25(22,23)19-13-6-2-4-11-5-3-9-18-16(11)13/h2-10,19H,1H3
InChIKeyZDTIBBOEMAUHID-UHFFFAOYSA-N
XLogP2.48
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-quinolin-8-yl-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-methyl-2-oxo-N-quinolin-8-yl-1,3-benzoxazole-6-sulfonamide (CID 30713861) is 3-methyl-2-oxo-N-quinolin-8-yl-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-methyl-2-oxo-N-quinolin-8-yl-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-methyl-2-oxo-N-quinolin-8-yl-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc4cccnc34)ccc21.
What is the InChIKey of 3-methyl-2-oxo-N-quinolin-8-yl-1,3-benzoxazole-6-sulfonamide?
The InChIKey is ZDTIBBOEMAUHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4S/c1-20-14-8-7-12(10-15(14)24-17(20)21)25(22,23)19-13-6-2-4-11-5-3-9-18-16(11)13/h2-10,19H,1H3.
What are the key properties of 3-methyl-2-oxo-N-quinolin-8-yl-1,3-benzoxazole-6-sulfonamide?
3-methyl-2-oxo-N-quinolin-8-yl-1,3-benzoxazole-6-sulfonamide has a molecular weight of 355.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-quinolin-8-yl-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 30713861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).