3-(cyclopropanecarbonyl)-5,8-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-1H-quinolin-4-one

C20H20N2O4S — CID 145452571

IUPAC3-(cyclopropanecarbonyl)-5,8-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-1H-quinolin-4-one
SMILESCc1cc(CS(=O)c2[nH]c3c(C)ccc(C)c3c(=O)c2C(=O)C2CC2)no1
InChIInChI=1S/C20H20N2O4S/c1-10-4-5-11(2)17-15(10)19(24)16(18(23)13-6-7-13)20(21-17)27(25)9-14-8-12(3)26-22-14/h4-5,8,13H,6-7,9H2,1-3H3,(H,21,24)
InChIKeyLJVMYVSLBNPCIK-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.34
Rot. Bonds5

About 3-(cyclopropanecarbonyl)-5,8-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-1H-quinolin-4-one

3-(cyclopropanecarbonyl)-5,8-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-1H-quinolin-4-one (PubChem CID 145452571) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-(cyclopropanecarbonyl)-5,8-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(cyclopropanecarbonyl)-5,8-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-1H-quinolin-4-one
PubChem CID145452571
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name3-(cyclopropanecarbonyl)-5,8-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-1H-quinolin-4-one
SMILESCc1cc(CS(=O)c2[nH]c3c(C)ccc(C)c3c(=O)c2C(=O)C2CC2)no1
InChIInChI=1S/C20H20N2O4S/c1-10-4-5-11(2)17-15(10)19(24)16(18(23)13-6-7-13)20(21-17)27(25)9-14-8-12(3)26-22-14/h4-5,8,13H,6-7,9H2,1-3H3,(H,21,24)
InChIKeyLJVMYVSLBNPCIK-UHFFFAOYSA-N
XLogP3.34
TPSA93.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(cyclopropanecarbonyl)-5,8-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-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 3-(cyclopropanecarbonyl)-5,8-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-1H-quinolin-4-one?
The IUPAC name of 3-(cyclopropanecarbonyl)-5,8-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-1H-quinolin-4-one (CID 145452571) is 3-(cyclopropanecarbonyl)-5,8-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-(cyclopropanecarbonyl)-5,8-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-1H-quinolin-4-one?
The canonical SMILES for 3-(cyclopropanecarbonyl)-5,8-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-1H-quinolin-4-one is Cc1cc(CS(=O)c2[nH]c3c(C)ccc(C)c3c(=O)c2C(=O)C2CC2)no1.
What is the InChIKey of 3-(cyclopropanecarbonyl)-5,8-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-1H-quinolin-4-one?
The InChIKey is LJVMYVSLBNPCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-10-4-5-11(2)17-15(10)19(24)16(18(23)13-6-7-13)20(21-17)27(25)9-14-8-12(3)26-22-14/h4-5,8,13H,6-7,9H2,1-3H3,(H,21,24).
What are the key properties of 3-(cyclopropanecarbonyl)-5,8-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-1H-quinolin-4-one?
3-(cyclopropanecarbonyl)-5,8-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-1H-quinolin-4-one has a molecular weight of 384.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonyl)-5,8-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-1H-quinolin-4-one is sourced from PubChem (CID 145452571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).