methyl 3,3,5-trioxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carboxylate

C14H13NO5S — CID 58199966

IUPACmethyl 3,3,5-trioxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carboxylate
SMILESCOC(=O)c1cccc2c3c(c(=O)[nH]c12)CS(=O)(=O)CC3
InChIInChI=1S/C14H13NO5S/c1-20-14(17)10-4-2-3-9-8-5-6-21(18,19)7-11(8)13(16)15-12(9)10/h2-4H,5-7H2,1H3,(H,15,16)
InChIKeySAGDPTQYBDOQRR-UHFFFAOYSA-N
MW307.33 g/mol
LogP0.79
Rot. Bonds1

About methyl 3,3,5-trioxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carboxylate

methyl 3,3,5-trioxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carboxylate (PubChem CID 58199966) has the molecular formula C14H13NO5S and a molecular weight of 307.33 g/mol. Its IUPAC name is methyl 3,3,5-trioxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 3,3,5-trioxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carboxylate
PubChem CID58199966
Molecular FormulaC14H13NO5S
Molecular Weight307.33 g/mol
Exact Mass307.05
IUPAC Namemethyl 3,3,5-trioxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carboxylate
SMILESCOC(=O)c1cccc2c3c(c(=O)[nH]c12)CS(=O)(=O)CC3
InChIInChI=1S/C14H13NO5S/c1-20-14(17)10-4-2-3-9-8-5-6-21(18,19)7-11(8)13(16)15-12(9)10/h2-4H,5-7H2,1H3,(H,15,16)
InChIKeySAGDPTQYBDOQRR-UHFFFAOYSA-N
XLogP0.79
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3,3,5-trioxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carboxylate with MolForge

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Related Compounds

methyl 6-oxo-1,2,3,4,5,7-hexahydroazepino[3,2-c]quinoline-8-carboxylate
CID 58199972
methyl 3-iodo-2-methyl-4-oxo-1H-quinoline-8-carboxylate
CID 102537528
methyl 8-ethyl-6-oxo-5H-phenanthridine-4-carboxylate
CID 178050328
methyl 2-(3-methylbut-2-enoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-6-carboxylate
CID 31894582
methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate
CID 10244019
9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
CID 175444407
ethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate
CID 143617162
(1,1-dioxothian-3-yl) 5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylate
CID 102559253
methyl 2-(1,4-dioxane-2-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-6-carboxylate
CID 75403121
methyl 2-chloro-3-cyano-1H-indole-7-carboxylate
CID 56605259
methyl 2-amino-3-cyano-1H-indole-7-carboxylate
CID 156876787
methyl 3-bromo-4-oxo-1H-quinoline-8-carboxylate
CID 71711059

Frequently Asked Questions

What is the IUPAC name of methyl 3,3,5-trioxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carboxylate?
The IUPAC name of methyl 3,3,5-trioxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carboxylate (CID 58199966) is methyl 3,3,5-trioxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carboxylate.
What is the SMILES notation for methyl 3,3,5-trioxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carboxylate?
The canonical SMILES for methyl 3,3,5-trioxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carboxylate is COC(=O)c1cccc2c3c(c(=O)[nH]c12)CS(=O)(=O)CC3.
What is the InChIKey of methyl 3,3,5-trioxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carboxylate?
The InChIKey is SAGDPTQYBDOQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5S/c1-20-14(17)10-4-2-3-9-8-5-6-21(18,19)7-11(8)13(16)15-12(9)10/h2-4H,5-7H2,1H3,(H,15,16).
What are the key properties of methyl 3,3,5-trioxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carboxylate?
methyl 3,3,5-trioxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carboxylate has a molecular weight of 307.33 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3,5-trioxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carboxylate is sourced from PubChem (CID 58199966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).