methyl 2,5-dioxo-5,10-dihydro-2H-pyrano[2,3-b]quinoline-3-carboxylate

C14H9NO5 — CID 23740281

IUPACmethyl 2,5-dioxo-10H-pyrano[2,3-b]quinoline-3-carboxylate
SMILESCOC(=O)C1=CC2=C(NC3=CC=CC=C3C2=O)OC1=O
InChIInChI=1S/C14H9NO5/c1-19-13(17)9-6-8-11(16)7-4-2-3-5-10(7)15-12(8)20-14(9)18/h2-6H,1H3,(H,15,16)
InChIKeyRZSZPCGKVUYSJU-UHFFFAOYSA-N
MW271.22 g/mol
LogP1.80
Rot. Bonds2

About methyl 2,5-dioxo-5,10-dihydro-2H-pyrano[2,3-b]quinoline-3-carboxylate

methyl 2,5-dioxo-5,10-dihydro-2H-pyrano[2,3-b]quinoline-3-carboxylate (PubChem CID 23740281) has the molecular formula C14H9NO5 and a molecular weight of 271.22 g/mol. Its IUPAC name is methyl 2,5-dioxo-10H-pyrano[2,3-b]quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dioxo-5,10-dihydro-2H-pyrano[2,3-b]quinoline-3-carboxylate
PubChem CID23740281
Molecular FormulaC14H9NO5
Molecular Weight271.22 g/mol
Exact Mass271.05
IUPAC Namemethyl 2,5-dioxo-10H-pyrano[2,3-b]quinoline-3-carboxylate
SMILESCOC(=O)C1=CC2=C(NC3=CC=CC=C3C2=O)OC1=O
InChIInChI=1S/C14H9NO5/c1-19-13(17)9-6-8-11(16)7-4-2-3-5-10(7)15-12(8)20-14(9)18/h2-6H,1H3,(H,15,16)
InChIKeyRZSZPCGKVUYSJU-UHFFFAOYSA-N
XLogP1.80
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity560

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze methyl 2,5-dioxo-5,10-dihydro-2H-pyrano[2,3-b]quinoline-3-carboxylate with MolForge

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Related Compounds

Ethyl 4-hydroxy-2-methylquinoline-3-carboxylate
CID 2986317
Methyl 4-Hydroxyquinoline-2-carboxylate
CID 821167
ethyl 2-heptyl-4-oxo-1H-quinoline-3-carboxylate
CID 90670723
Ethyl 4-oxo-1,4-dihydroquinoline-2-carboxylate
CID 282844
ethyl 4-oxo-2-phenyl-1H-quinoline-3-carboxylate
CID 289858
ethyl 4-oxo-2-pentyl-1H-quinoline-3-carboxylate
CID 44591149
ethyl 2-decyl-4-oxo-1H-quinoline-3-carboxylate
CID 44591150
Methyl 6-fluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate
CID 11390401
methyl 7-acetyl-4-oxo-1H-quinoline-2-carboxylate
CID 22017465
(4-Oxo-1,4-dihydro-quinolin-2-yl)-acetic acid ethyl ester
CID 284007
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-((2-(dimethylamino)-1,4-dihydro-4-oxo-3-quinolinyl)methylene)-
CID 3075193
tert-butyl (E)-3-(2-methyl-4-oxo-1H-quinolin-3-yl)prop-2-enoate
CID 49780794

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dioxo-5,10-dihydro-2H-pyrano[2,3-b]quinoline-3-carboxylate?
The IUPAC name of methyl 2,5-dioxo-5,10-dihydro-2H-pyrano[2,3-b]quinoline-3-carboxylate (CID 23740281) is methyl 2,5-dioxo-10H-pyrano[2,3-b]quinoline-3-carboxylate.
What is the SMILES notation for methyl 2,5-dioxo-5,10-dihydro-2H-pyrano[2,3-b]quinoline-3-carboxylate?
The canonical SMILES for methyl 2,5-dioxo-5,10-dihydro-2H-pyrano[2,3-b]quinoline-3-carboxylate is COC(=O)C1=CC2=C(NC3=CC=CC=C3C2=O)OC1=O.
What is the InChIKey of methyl 2,5-dioxo-5,10-dihydro-2H-pyrano[2,3-b]quinoline-3-carboxylate?
The InChIKey is RZSZPCGKVUYSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO5/c1-19-13(17)9-6-8-11(16)7-4-2-3-5-10(7)15-12(8)20-14(9)18/h2-6H,1H3,(H,15,16).
What are the key properties of methyl 2,5-dioxo-5,10-dihydro-2H-pyrano[2,3-b]quinoline-3-carboxylate?
methyl 2,5-dioxo-5,10-dihydro-2H-pyrano[2,3-b]quinoline-3-carboxylate has a molecular weight of 271.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dioxo-5,10-dihydro-2H-pyrano[2,3-b]quinoline-3-carboxylate is sourced from PubChem (CID 23740281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).