ethyl 1-benzoyl-4-oxoquinolizine-3-carboxylate

C19H15NO4 — CID 15632074

IUPACethyl 1-benzoyl-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2)c2ccccn2c1=O
InChIInChI=1S/C19H15NO4/c1-2-24-19(23)15-12-14(17(21)13-8-4-3-5-9-13)16-10-6-7-11-20(16)18(15)22/h3-12H,2H2,1H3
InChIKeyMOLYZNZCFPRIQN-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.71
Rot. Bonds4

About ethyl 1-benzoyl-4-oxoquinolizine-3-carboxylate

ethyl 1-benzoyl-4-oxoquinolizine-3-carboxylate (PubChem CID 15632074) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is ethyl 1-benzoyl-4-oxoquinolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzoyl-4-oxoquinolizine-3-carboxylate
PubChem CID15632074
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Nameethyl 1-benzoyl-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2)c2ccccn2c1=O
InChIInChI=1S/C19H15NO4/c1-2-24-19(23)15-12-14(17(21)13-8-4-3-5-9-13)16-10-6-7-11-20(16)18(15)22/h3-12H,2H2,1H3
InChIKeyMOLYZNZCFPRIQN-UHFFFAOYSA-N
XLogP2.71
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzoyl-4-oxoquinolizine-3-carboxylate?
The IUPAC name of ethyl 1-benzoyl-4-oxoquinolizine-3-carboxylate (CID 15632074) is ethyl 1-benzoyl-4-oxoquinolizine-3-carboxylate.
What is the SMILES notation for ethyl 1-benzoyl-4-oxoquinolizine-3-carboxylate?
The canonical SMILES for ethyl 1-benzoyl-4-oxoquinolizine-3-carboxylate is CCOC(=O)c1cc(C(=O)c2ccccc2)c2ccccn2c1=O.
What is the InChIKey of ethyl 1-benzoyl-4-oxoquinolizine-3-carboxylate?
The InChIKey is MOLYZNZCFPRIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-2-24-19(23)15-12-14(17(21)13-8-4-3-5-9-13)16-10-6-7-11-20(16)18(15)22/h3-12H,2H2,1H3.
What are the key properties of ethyl 1-benzoyl-4-oxoquinolizine-3-carboxylate?
ethyl 1-benzoyl-4-oxoquinolizine-3-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzoyl-4-oxoquinolizine-3-carboxylate is sourced from PubChem (CID 15632074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).