2,2-dioxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C17H16N4O4S — CID 55611894

IUPAC2,2-dioxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C1CCc2cc(NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)ccc2N1
InChIInChI=1S/C17H16N4O4S/c22-15-6-3-11-10-12(4-5-14(11)19-15)18-17(23)13-2-1-7-21-8-9-26(24,25)20-16(13)21/h1-2,4-5,7,10H,3,6,8-9H2,(H,18,23)(H,19,22)
InChIKeyUMDHKABGBNJEEZ-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.01
Rot. Bonds2

About 2,2-dioxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

2,2-dioxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 55611894) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is 2,2-dioxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound Name2,2-dioxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID55611894
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name2,2-dioxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C1CCc2cc(NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)ccc2N1
InChIInChI=1S/C17H16N4O4S/c22-15-6-3-11-10-12(4-5-14(11)19-15)18-17(23)13-2-1-7-21-8-9-26(24,25)20-16(13)21/h1-2,4-5,7,10H,3,6,8-9H2,(H,18,23)(H,19,22)
InChIKeyUMDHKABGBNJEEZ-UHFFFAOYSA-N
XLogP1.01
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,2-dioxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of 2,2-dioxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 55611894) is 2,2-dioxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for 2,2-dioxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for 2,2-dioxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is O=C1CCc2cc(NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)ccc2N1.
What is the InChIKey of 2,2-dioxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is UMDHKABGBNJEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c22-15-6-3-11-10-12(4-5-14(11)19-15)18-17(23)13-2-1-7-21-8-9-26(24,25)20-16(13)21/h1-2,4-5,7,10H,3,6,8-9H2,(H,18,23)(H,19,22).
What are the key properties of 2,2-dioxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
2,2-dioxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 372.41 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 55611894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).