ethyl 4-methyl-2,6-dioxo-9H-pyrano[3,2-g]quinoline-7-carboxylate

C16H13NO5 — CID 10851683

IUPACethyl 4-methyl-2,6-dioxo-9H-pyrano[3,2-g]quinoline-7-carboxylate
SMILESCCOC(=O)c1c[nH]c2cc3oc(=O)cc(C)c3cc2c1=O
InChIInChI=1S/C16H13NO5/c1-3-21-16(20)11-7-17-12-6-13-9(5-10(12)15(11)19)8(2)4-14(18)22-13/h4-7H,3H2,1-2H3,(H,17,19)
InChIKeyGGSXBUZKEAHLFZ-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.12
Rot. Bonds2

About ethyl 4-methyl-2,6-dioxo-9H-pyrano[3,2-g]quinoline-7-carboxylate

ethyl 4-methyl-2,6-dioxo-9H-pyrano[3,2-g]quinoline-7-carboxylate (PubChem CID 10851683) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is ethyl 4-methyl-2,6-dioxo-9H-pyrano[3,2-g]quinoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2,6-dioxo-9H-pyrano[3,2-g]quinoline-7-carboxylate
PubChem CID10851683
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Nameethyl 4-methyl-2,6-dioxo-9H-pyrano[3,2-g]quinoline-7-carboxylate
SMILESCCOC(=O)c1c[nH]c2cc3oc(=O)cc(C)c3cc2c1=O
InChIInChI=1S/C16H13NO5/c1-3-21-16(20)11-7-17-12-6-13-9(5-10(12)15(11)19)8(2)4-14(18)22-13/h4-7H,3H2,1-2H3,(H,17,19)
InChIKeyGGSXBUZKEAHLFZ-UHFFFAOYSA-N
XLogP2.12
TPSA89.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-methyl-2,6-dioxo-9H-pyrano[3,2-g]quinoline-7-carboxylate with MolForge

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Related Compounds

ethyl 6-fluoro-7-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 12733854
ethyl 7-iodo-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 78358217
ethyl 6-dodecoxy-7-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 141170084
ethyl 7-chloro-6-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylate
CID 12733849
ethyl 6-methylsulfonyl-4-oxo-1H-quinoline-3-carboxylate
CID 142164950
ethyl 6-(2-aminoethylsulfanyl)-7-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 69349601
ethyl 4-oxo-6-(trifluoromethylamino)-1H-quinoline-3-carboxylate
CID 162518104
ethyl 7-methyl-6-[2-(2-methylphenoxy)ethoxy]-4-oxo-1H-quinoline-3-carboxylate
CID 46192913
ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
CID 13217735
ethyl 7-bromo-6-(4-bromophenoxy)-4-oxo-1H-quinoline-3-carboxylate
CID 102284658
ethyl 7-chloro-6-(4-chlorophenoxy)-4-oxo-1H-quinoline-3-carboxylate
CID 1069432
ethyl 4-oxo-7-tetradecoxy-1H-quinoline-3-carboxylate
CID 154101984

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2,6-dioxo-9H-pyrano[3,2-g]quinoline-7-carboxylate?
The IUPAC name of ethyl 4-methyl-2,6-dioxo-9H-pyrano[3,2-g]quinoline-7-carboxylate (CID 10851683) is ethyl 4-methyl-2,6-dioxo-9H-pyrano[3,2-g]quinoline-7-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2,6-dioxo-9H-pyrano[3,2-g]quinoline-7-carboxylate?
The canonical SMILES for ethyl 4-methyl-2,6-dioxo-9H-pyrano[3,2-g]quinoline-7-carboxylate is CCOC(=O)c1c[nH]c2cc3oc(=O)cc(C)c3cc2c1=O.
What is the InChIKey of ethyl 4-methyl-2,6-dioxo-9H-pyrano[3,2-g]quinoline-7-carboxylate?
The InChIKey is GGSXBUZKEAHLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c1-3-21-16(20)11-7-17-12-6-13-9(5-10(12)15(11)19)8(2)4-14(18)22-13/h4-7H,3H2,1-2H3,(H,17,19).
What are the key properties of ethyl 4-methyl-2,6-dioxo-9H-pyrano[3,2-g]quinoline-7-carboxylate?
ethyl 4-methyl-2,6-dioxo-9H-pyrano[3,2-g]quinoline-7-carboxylate has a molecular weight of 299.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2,6-dioxo-9H-pyrano[3,2-g]quinoline-7-carboxylate is sourced from PubChem (CID 10851683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).