4,8-dimethyl-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one

C15H18N2O4S — CID 16832103

IUPAC4,8-dimethyl-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2c(C)cc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C15H18N2O4S/c1-10-8-14(18)16-15-11(2)7-12(9-13(10)15)22(19,20)17-3-5-21-6-4-17/h7-9H,3-6H2,1-2H3,(H,16,18)
InChIKeyJUVYQLQCUGGBLH-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.17
Rot. Bonds2

About 4,8-dimethyl-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one

4,8-dimethyl-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one (PubChem CID 16832103) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 4,8-dimethyl-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4,8-dimethyl-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one
PubChem CID16832103
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name4,8-dimethyl-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2c(C)cc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C15H18N2O4S/c1-10-8-14(18)16-15-11(2)7-12(9-13(10)15)22(19,20)17-3-5-21-6-4-17/h7-9H,3-6H2,1-2H3,(H,16,18)
InChIKeyJUVYQLQCUGGBLH-UHFFFAOYSA-N
XLogP1.17
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one?
The IUPAC name of 4,8-dimethyl-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one (CID 16832103) is 4,8-dimethyl-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one.
What is the SMILES notation for 4,8-dimethyl-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one?
The canonical SMILES for 4,8-dimethyl-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one is Cc1cc(=O)[nH]c2c(C)cc(S(=O)(=O)N3CCOCC3)cc12.
What is the InChIKey of 4,8-dimethyl-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one?
The InChIKey is JUVYQLQCUGGBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-10-8-14(18)16-15-11(2)7-12(9-13(10)15)22(19,20)17-3-5-21-6-4-17/h7-9H,3-6H2,1-2H3,(H,16,18).
What are the key properties of 4,8-dimethyl-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one?
4,8-dimethyl-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one has a molecular weight of 322.39 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one is sourced from PubChem (CID 16832103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).