2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C18H19N3O2S — CID 46301154

IUPAC2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)C(C)n2c(=O)cc(C)c3cccc(C)c32)n1
InChIInChI=1S/C18H19N3O2S/c1-10-6-5-7-14-11(2)8-15(22)21(16(10)14)13(4)17(23)20-18-19-12(3)9-24-18/h5-9,13H,1-4H3,(H,19,20,23)
InChIKeyRWCMAQQIUDOUEN-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.58
Rot. Bonds3

About 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 46301154) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID46301154
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)C(C)n2c(=O)cc(C)c3cccc(C)c32)n1
InChIInChI=1S/C18H19N3O2S/c1-10-6-5-7-14-11(2)8-15(22)21(16(10)14)13(4)17(23)20-18-19-12(3)9-24-18/h5-9,13H,1-4H3,(H,19,20,23)
InChIKeyRWCMAQQIUDOUEN-UHFFFAOYSA-N
XLogP3.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 46301154) is 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)C(C)n2c(=O)cc(C)c3cccc(C)c32)n1.
What is the InChIKey of 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is RWCMAQQIUDOUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-10-6-5-7-14-11(2)8-15(22)21(16(10)14)13(4)17(23)20-18-19-12(3)9-24-18/h5-9,13H,1-4H3,(H,19,20,23).
What are the key properties of 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 341.44 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 46301154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).