6,8-dimethyl-2-[[[(2R)-4-methylsulfonylmorpholin-2-yl]methylamino]methyl]-1H-quinolin-4-one

C18H25N3O4S — CID 97123849

IUPAC6,8-dimethyl-2-[[[(2R)-4-methylsulfonylmorpholin-2-yl]methylamino]methyl]-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]c(CNC[C@@H]3CN(S(C)(=O)=O)CCO3)cc(=O)c2c1
InChIInChI=1S/C18H25N3O4S/c1-12-6-13(2)18-16(7-12)17(22)8-14(20-18)9-19-10-15-11-21(4-5-25-15)26(3,23)24/h6-8,15,19H,4-5,9-11H2,1-3H3,(H,20,22)/t15-/m1/s1
InChIKeyXMZNILIQPRFICO-OAHLLOKOSA-N
MW379.48 g/mol
LogP0.89
Rot. Bonds5

About 6,8-dimethyl-2-[[[(2R)-4-methylsulfonylmorpholin-2-yl]methylamino]methyl]-1H-quinolin-4-one

6,8-dimethyl-2-[[[(2R)-4-methylsulfonylmorpholin-2-yl]methylamino]methyl]-1H-quinolin-4-one (PubChem CID 97123849) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 6,8-dimethyl-2-[[[(2R)-4-methylsulfonylmorpholin-2-yl]methylamino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6,8-dimethyl-2-[[[(2R)-4-methylsulfonylmorpholin-2-yl]methylamino]methyl]-1H-quinolin-4-one
PubChem CID97123849
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name6,8-dimethyl-2-[[[(2R)-4-methylsulfonylmorpholin-2-yl]methylamino]methyl]-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]c(CNC[C@@H]3CN(S(C)(=O)=O)CCO3)cc(=O)c2c1
InChIInChI=1S/C18H25N3O4S/c1-12-6-13(2)18-16(7-12)17(22)8-14(20-18)9-19-10-15-11-21(4-5-25-15)26(3,23)24/h6-8,15,19H,4-5,9-11H2,1-3H3,(H,20,22)/t15-/m1/s1
InChIKeyXMZNILIQPRFICO-OAHLLOKOSA-N
XLogP0.89
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6,8-dimethyl-2-[[[(2R)-4-methylsulfonylmorpholin-2-yl]methylamino]methyl]-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-[[[(2R)-4-methylsulfonylmorpholin-2-yl]methylamino]methyl]-1H-quinolin-4-one?
The IUPAC name of 6,8-dimethyl-2-[[[(2R)-4-methylsulfonylmorpholin-2-yl]methylamino]methyl]-1H-quinolin-4-one (CID 97123849) is 6,8-dimethyl-2-[[[(2R)-4-methylsulfonylmorpholin-2-yl]methylamino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6,8-dimethyl-2-[[[(2R)-4-methylsulfonylmorpholin-2-yl]methylamino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6,8-dimethyl-2-[[[(2R)-4-methylsulfonylmorpholin-2-yl]methylamino]methyl]-1H-quinolin-4-one is Cc1cc(C)c2[nH]c(CNC[C@@H]3CN(S(C)(=O)=O)CCO3)cc(=O)c2c1.
What is the InChIKey of 6,8-dimethyl-2-[[[(2R)-4-methylsulfonylmorpholin-2-yl]methylamino]methyl]-1H-quinolin-4-one?
The InChIKey is XMZNILIQPRFICO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-12-6-13(2)18-16(7-12)17(22)8-14(20-18)9-19-10-15-11-21(4-5-25-15)26(3,23)24/h6-8,15,19H,4-5,9-11H2,1-3H3,(H,20,22)/t15-/m1/s1.
What are the key properties of 6,8-dimethyl-2-[[[(2R)-4-methylsulfonylmorpholin-2-yl]methylamino]methyl]-1H-quinolin-4-one?
6,8-dimethyl-2-[[[(2R)-4-methylsulfonylmorpholin-2-yl]methylamino]methyl]-1H-quinolin-4-one has a molecular weight of 379.48 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-[[[(2R)-4-methylsulfonylmorpholin-2-yl]methylamino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 97123849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).