ethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate

C17H15NO3 — CID 142738035

IUPACethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate
SMILESCCOC(=O)c1c(=O)n2ccccc2c2cc(C)ccc12
InChIInChI=1S/C17H15NO3/c1-3-21-17(20)15-12-8-7-11(2)10-13(12)14-6-4-5-9-18(14)16(15)19/h4-10H,3H2,1-2H3
InChIKeyGZCYJBVZPNELTH-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.94
Rot. Bonds2

About ethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate

ethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate (PubChem CID 142738035) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate.

Molecular Properties

Compound Nameethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate
PubChem CID142738035
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Nameethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate
SMILESCCOC(=O)c1c(=O)n2ccccc2c2cc(C)ccc12
InChIInChI=1S/C17H15NO3/c1-3-21-17(20)15-12-8-7-11(2)10-13(12)14-6-4-5-9-18(14)16(15)19/h4-10H,3H2,1-2H3
InChIKeyGZCYJBVZPNELTH-UHFFFAOYSA-N
XLogP2.94
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 7-oxo-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2,4,8,10,12,15,17-octaene-16-carboxylate
CID 135029591
ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
ethyl 1-naphthalen-1-yl-4-oxoquinolizine-3-carboxylate
CID 15632065
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl 2-(2-chloro-5-methylphenyl)-3-formylindolizine-1-carboxylate
CID 3839129
ethyl 2-(2-bromo-5-methylphenyl)-3-formylindolizine-1-carboxylate
CID 3788473
ethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate
CID 102058257
diethyl 1-nitroindolizine-2,3-dicarboxylate
CID 139235404
ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate
CID 56644234
ethyl 3-ethylindolizine-1-carboxylate
CID 3747254
ethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate
CID 56645067
ethyl 4-oxo-2-thiophen-2-ylquinolizine-1-carboxylate
CID 138971000

Frequently Asked Questions

What is the IUPAC name of ethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate?
The IUPAC name of ethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate (CID 142738035) is ethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate.
What is the SMILES notation for ethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate?
The canonical SMILES for ethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate is CCOC(=O)c1c(=O)n2ccccc2c2cc(C)ccc12.
What is the InChIKey of ethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate?
The InChIKey is GZCYJBVZPNELTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-3-21-17(20)15-12-8-7-11(2)10-13(12)14-6-4-5-9-18(14)16(15)19/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate?
ethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate is sourced from PubChem (CID 142738035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).