ethyl 3-hydroxy-1-oxobenzo[f]quinolizine-4-carboxylate

C16H13NO4 — CID 110273598

IUPACethyl 3-hydroxy-1-oxobenzo[f]quinolizine-4-carboxylate
SMILESCCOC(=O)c1c(O)cc(=O)n2c1ccc1ccccc12
InChIInChI=1S/C16H13NO4/c1-2-21-16(20)15-12-8-7-10-5-3-4-6-11(10)17(12)14(19)9-13(15)18/h3-9,18H,2H2,1H3
InChIKeyOIHJLMTYXSREEL-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.34
Rot. Bonds2

About ethyl 3-hydroxy-1-oxobenzo[f]quinolizine-4-carboxylate

ethyl 3-hydroxy-1-oxobenzo[f]quinolizine-4-carboxylate (PubChem CID 110273598) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is ethyl 3-hydroxy-1-oxobenzo[f]quinolizine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-1-oxobenzo[f]quinolizine-4-carboxylate
PubChem CID110273598
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Nameethyl 3-hydroxy-1-oxobenzo[f]quinolizine-4-carboxylate
SMILESCCOC(=O)c1c(O)cc(=O)n2c1ccc1ccccc12
InChIInChI=1S/C16H13NO4/c1-2-21-16(20)15-12-8-7-10-5-3-4-6-11(10)17(12)14(19)9-13(15)18/h3-9,18H,2H2,1H3
InChIKeyOIHJLMTYXSREEL-UHFFFAOYSA-N
XLogP2.34
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-1-oxobenzo[f]quinolizine-4-carboxylate?
The IUPAC name of ethyl 3-hydroxy-1-oxobenzo[f]quinolizine-4-carboxylate (CID 110273598) is ethyl 3-hydroxy-1-oxobenzo[f]quinolizine-4-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-1-oxobenzo[f]quinolizine-4-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-1-oxobenzo[f]quinolizine-4-carboxylate is CCOC(=O)c1c(O)cc(=O)n2c1ccc1ccccc12.
What is the InChIKey of ethyl 3-hydroxy-1-oxobenzo[f]quinolizine-4-carboxylate?
The InChIKey is OIHJLMTYXSREEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-2-21-16(20)15-12-8-7-10-5-3-4-6-11(10)17(12)14(19)9-13(15)18/h3-9,18H,2H2,1H3.
What are the key properties of ethyl 3-hydroxy-1-oxobenzo[f]quinolizine-4-carboxylate?
ethyl 3-hydroxy-1-oxobenzo[f]quinolizine-4-carboxylate has a molecular weight of 283.28 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-1-oxobenzo[f]quinolizine-4-carboxylate is sourced from PubChem (CID 110273598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).