2,2-dioxo-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2λ6-thia-6-azaspiro[3.3]heptane-6-carboxamide

C15H19N3O4S — CID 167972159

IUPAC2,2-dioxo-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2λ6-thia-6-azaspiro[3.3]heptane-6-carboxamide
SMILESO=C(Nc1cc2c([nH]c1=O)CCCC2)N1CC2(C1)CS(=O)(=O)C2
InChIInChI=1S/C15H19N3O4S/c19-13-12(5-10-3-1-2-4-11(10)16-13)17-14(20)18-6-15(7-18)8-23(21,22)9-15/h5H,1-4,6-9H2,(H,16,19)(H,17,20)
InChIKeyCRPBIAYXQNOJGD-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.52
Rot. Bonds1

About 2,2-dioxo-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2λ6-thia-6-azaspiro[3.3]heptane-6-carboxamide

2,2-dioxo-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2λ6-thia-6-azaspiro[3.3]heptane-6-carboxamide (PubChem CID 167972159) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2,2-dioxo-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2λ6-thia-6-azaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

Compound Name2,2-dioxo-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2λ6-thia-6-azaspiro[3.3]heptane-6-carboxamide
PubChem CID167972159
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name2,2-dioxo-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2λ6-thia-6-azaspiro[3.3]heptane-6-carboxamide
SMILESO=C(Nc1cc2c([nH]c1=O)CCCC2)N1CC2(C1)CS(=O)(=O)C2
InChIInChI=1S/C15H19N3O4S/c19-13-12(5-10-3-1-2-4-11(10)16-13)17-14(20)18-6-15(7-18)8-23(21,22)9-15/h5H,1-4,6-9H2,(H,16,19)(H,17,20)
InChIKeyCRPBIAYXQNOJGD-UHFFFAOYSA-N
XLogP0.52
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-dioxo-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2λ6-thia-6-azaspiro[3.3]heptane-6-carboxamide 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 2,2-dioxo-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2λ6-thia-6-azaspiro[3.3]heptane-6-carboxamide?
The IUPAC name of 2,2-dioxo-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2λ6-thia-6-azaspiro[3.3]heptane-6-carboxamide (CID 167972159) is 2,2-dioxo-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2λ6-thia-6-azaspiro[3.3]heptane-6-carboxamide.
What is the SMILES notation for 2,2-dioxo-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2λ6-thia-6-azaspiro[3.3]heptane-6-carboxamide?
The canonical SMILES for 2,2-dioxo-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2λ6-thia-6-azaspiro[3.3]heptane-6-carboxamide is O=C(Nc1cc2c([nH]c1=O)CCCC2)N1CC2(C1)CS(=O)(=O)C2.
What is the InChIKey of 2,2-dioxo-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2λ6-thia-6-azaspiro[3.3]heptane-6-carboxamide?
The InChIKey is CRPBIAYXQNOJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c19-13-12(5-10-3-1-2-4-11(10)16-13)17-14(20)18-6-15(7-18)8-23(21,22)9-15/h5H,1-4,6-9H2,(H,16,19)(H,17,20).
What are the key properties of 2,2-dioxo-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2λ6-thia-6-azaspiro[3.3]heptane-6-carboxamide?
2,2-dioxo-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2λ6-thia-6-azaspiro[3.3]heptane-6-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2λ6-thia-6-azaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 167972159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).