ethyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate

C17H19NO3 — CID 11161937

IUPACethyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CCC1=C(C)C(=O)CCN12
InChIInChI=1S/C17H19NO3/c1-3-21-17(20)13-5-7-15-12(10-13)4-6-14-11(2)16(19)8-9-18(14)15/h5,7,10H,3-4,6,8-9H2,1-2H3
InChIKeyVBDHAMXHEONACP-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.86
Rot. Bonds2

About ethyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate

ethyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate (PubChem CID 11161937) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate
PubChem CID11161937
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CCC1=C(C)C(=O)CCN12
InChIInChI=1S/C17H19NO3/c1-3-21-17(20)13-5-7-15-12(10-13)4-6-14-11(2)16(19)8-9-18(14)15/h5,7,10H,3-4,6,8-9H2,1-2H3
InChIKeyVBDHAMXHEONACP-UHFFFAOYSA-N
XLogP2.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate?
The IUPAC name of ethyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate (CID 11161937) is ethyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate.
What is the SMILES notation for ethyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate?
The canonical SMILES for ethyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate is CCOC(=O)c1ccc2c(c1)CCC1=C(C)C(=O)CCN12.
What is the InChIKey of ethyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate?
The InChIKey is VBDHAMXHEONACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-21-17(20)13-5-7-15-12(10-13)4-6-14-11(2)16(19)8-9-18(14)15/h5,7,10H,3-4,6,8-9H2,1-2H3.
What are the key properties of ethyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate?
ethyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate is sourced from PubChem (CID 11161937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).