1-methyl-N-(2-methyl-1,3-benzoxazol-7-yl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide

C18H17N3O4S — CID 110417873

IUPAC1-methyl-N-(2-methyl-1,3-benzoxazol-7-yl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide
SMILESCc1nc2cccc(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)c2o1
InChIInChI=1S/C18H17N3O4S/c1-11-19-14-4-3-5-15(18(14)25-11)20-26(23,24)13-7-8-16-12(10-13)6-9-17(22)21(16)2/h3-5,7-8,10,20H,6,9H2,1-2H3
InChIKeyJYOCPMCFZWOYAH-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.85
Rot. Bonds3

About 1-methyl-N-(2-methyl-1,3-benzoxazol-7-yl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide

1-methyl-N-(2-methyl-1,3-benzoxazol-7-yl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide (PubChem CID 110417873) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-1,3-benzoxazol-7-yl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-1,3-benzoxazol-7-yl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide
PubChem CID110417873
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name1-methyl-N-(2-methyl-1,3-benzoxazol-7-yl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide
SMILESCc1nc2cccc(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)c2o1
InChIInChI=1S/C18H17N3O4S/c1-11-19-14-4-3-5-15(18(14)25-11)20-26(23,24)13-7-8-16-12(10-13)6-9-17(22)21(16)2/h3-5,7-8,10,20H,6,9H2,1-2H3
InChIKeyJYOCPMCFZWOYAH-UHFFFAOYSA-N
XLogP2.85
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-1,3-benzoxazol-7-yl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The IUPAC name of 1-methyl-N-(2-methyl-1,3-benzoxazol-7-yl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide (CID 110417873) is 1-methyl-N-(2-methyl-1,3-benzoxazol-7-yl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide.
What is the SMILES notation for 1-methyl-N-(2-methyl-1,3-benzoxazol-7-yl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The canonical SMILES for 1-methyl-N-(2-methyl-1,3-benzoxazol-7-yl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide is Cc1nc2cccc(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)c2o1.
What is the InChIKey of 1-methyl-N-(2-methyl-1,3-benzoxazol-7-yl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The InChIKey is JYOCPMCFZWOYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-11-19-14-4-3-5-15(18(14)25-11)20-26(23,24)13-7-8-16-12(10-13)6-9-17(22)21(16)2/h3-5,7-8,10,20H,6,9H2,1-2H3.
What are the key properties of 1-methyl-N-(2-methyl-1,3-benzoxazol-7-yl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
1-methyl-N-(2-methyl-1,3-benzoxazol-7-yl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide has a molecular weight of 371.42 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-1,3-benzoxazol-7-yl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide is sourced from PubChem (CID 110417873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).