ethyl 6-ethyl-8,9-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

C20H23NO3 — CID 118252034

IUPACethyl 6-ethyl-8,9-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
SMILESCCOC(=O)c1cn2c(cc1=O)-c1ccc(C)c(C)c1CC2CC
InChIInChI=1S/C20H23NO3/c1-5-14-9-16-13(4)12(3)7-8-15(16)18-10-19(22)17(11-21(14)18)20(23)24-6-2/h7-8,10-11,14H,5-6,9H2,1-4H3
InChIKeyBJSRFCILMOTWDG-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.82
Rot. Bonds3

About ethyl 6-ethyl-8,9-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

ethyl 6-ethyl-8,9-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate (PubChem CID 118252034) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl 6-ethyl-8,9-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethyl-8,9-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
PubChem CID118252034
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nameethyl 6-ethyl-8,9-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
SMILESCCOC(=O)c1cn2c(cc1=O)-c1ccc(C)c(C)c1CC2CC
InChIInChI=1S/C20H23NO3/c1-5-14-9-16-13(4)12(3)7-8-15(16)18-10-19(22)17(11-21(14)18)20(23)24-6-2/h7-8,10-11,14H,5-6,9H2,1-4H3
InChIKeyBJSRFCILMOTWDG-UHFFFAOYSA-N
XLogP3.82
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethyl-8,9-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate?
The IUPAC name of ethyl 6-ethyl-8,9-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate (CID 118252034) is ethyl 6-ethyl-8,9-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate.
What is the SMILES notation for ethyl 6-ethyl-8,9-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate?
The canonical SMILES for ethyl 6-ethyl-8,9-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate is CCOC(=O)c1cn2c(cc1=O)-c1ccc(C)c(C)c1CC2CC.
What is the InChIKey of ethyl 6-ethyl-8,9-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate?
The InChIKey is BJSRFCILMOTWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-5-14-9-16-13(4)12(3)7-8-15(16)18-10-19(22)17(11-21(14)18)20(23)24-6-2/h7-8,10-11,14H,5-6,9H2,1-4H3.
What are the key properties of ethyl 6-ethyl-8,9-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate?
ethyl 6-ethyl-8,9-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethyl-8,9-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate is sourced from PubChem (CID 118252034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).