1,4-dimethyl-6-morpholin-4-ylsulfonylquinolin-2-one

C15H18N2O4S — CID 5299606

IUPAC1,4-dimethyl-6-morpholin-4-ylsulfonylquinolin-2-one
SMILESCc1cc(=O)n(C)c2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C15H18N2O4S/c1-11-9-15(18)16(2)14-4-3-12(10-13(11)14)22(19,20)17-5-7-21-8-6-17/h3-4,9-10H,5-8H2,1-2H3
InChIKeyCSBUJGZMAKYKSE-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.87
Rot. Bonds2

About 1,4-dimethyl-6-morpholin-4-ylsulfonylquinolin-2-one

1,4-dimethyl-6-morpholin-4-ylsulfonylquinolin-2-one (PubChem CID 5299606) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 1,4-dimethyl-6-morpholin-4-ylsulfonylquinolin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-6-morpholin-4-ylsulfonylquinolin-2-one
PubChem CID5299606
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name1,4-dimethyl-6-morpholin-4-ylsulfonylquinolin-2-one
SMILESCc1cc(=O)n(C)c2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C15H18N2O4S/c1-11-9-15(18)16(2)14-4-3-12(10-13(11)14)22(19,20)17-5-7-21-8-6-17/h3-4,9-10H,5-8H2,1-2H3
InChIKeyCSBUJGZMAKYKSE-UHFFFAOYSA-N
XLogP0.87
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-morpholin-4-ylsulfonylquinolin-2-one?
The IUPAC name of 1,4-dimethyl-6-morpholin-4-ylsulfonylquinolin-2-one (CID 5299606) is 1,4-dimethyl-6-morpholin-4-ylsulfonylquinolin-2-one.
What is the SMILES notation for 1,4-dimethyl-6-morpholin-4-ylsulfonylquinolin-2-one?
The canonical SMILES for 1,4-dimethyl-6-morpholin-4-ylsulfonylquinolin-2-one is Cc1cc(=O)n(C)c2ccc(S(=O)(=O)N3CCOCC3)cc12.
What is the InChIKey of 1,4-dimethyl-6-morpholin-4-ylsulfonylquinolin-2-one?
The InChIKey is CSBUJGZMAKYKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-11-9-15(18)16(2)14-4-3-12(10-13(11)14)22(19,20)17-5-7-21-8-6-17/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 1,4-dimethyl-6-morpholin-4-ylsulfonylquinolin-2-one?
1,4-dimethyl-6-morpholin-4-ylsulfonylquinolin-2-one has a molecular weight of 322.39 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-morpholin-4-ylsulfonylquinolin-2-one is sourced from PubChem (CID 5299606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).