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

C16H17NO3 — CID 11391607

IUPACethyl 6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carboxylate
SMILESCCOC(=O)c1c2n(c3ccccc3c1=O)CCCC2
InChIInChI=1S/C16H17NO3/c1-2-20-16(19)14-13-9-5-6-10-17(13)12-8-4-3-7-11(12)15(14)18/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyUMHRLIJYPRFASH-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.51
Rot. Bonds2

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

ethyl 6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carboxylate (PubChem CID 11391607) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carboxylate
PubChem CID11391607
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameethyl 6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carboxylate
SMILESCCOC(=O)c1c2n(c3ccccc3c1=O)CCCC2
InChIInChI=1S/C16H17NO3/c1-2-20-16(19)14-13-9-5-6-10-17(13)12-8-4-3-7-11(12)15(14)18/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyUMHRLIJYPRFASH-UHFFFAOYSA-N
XLogP2.51
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 220876
Ethyl 4-hydroxy-2-methylquinoline-3-carboxylate
CID 2986317
Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 854165
Amquinate
CID 28414
Methyl 4-hydroxyquinoline-3-carboxylate
CID 279958
6-Benzyl-3-ethoxycarbonyl-4-quinolone
CID 11529633
Gnf-PF-4421
CID 684193
Ethyl 6-isopropyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 690399
butyl 4-oxo-1H-quinoline-3-carboxylate
CID 11630136
Ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate
CID 5140913
propyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate
CID 11594914
ethyl 4-oxo-6-propyl-1H-quinoline-3-carboxylate
CID 11572455

Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carboxylate?
The IUPAC name of ethyl 6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carboxylate (CID 11391607) is ethyl 6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carboxylate.
What is the SMILES notation for ethyl 6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carboxylate?
The canonical SMILES for ethyl 6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carboxylate is CCOC(=O)c1c2n(c3ccccc3c1=O)CCCC2.
What is the InChIKey of ethyl 6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carboxylate?
The InChIKey is UMHRLIJYPRFASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-20-16(19)14-13-9-5-6-10-17(13)12-8-4-3-7-11(12)15(14)18/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of ethyl 6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carboxylate?
ethyl 6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-1,2,3,4-tetrahydrobenzo[c]quinolizine-5-carboxylate is sourced from PubChem (CID 11391607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).