methyl 4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carboxylate

C15H15NO3 — CID 10825029

IUPACmethyl 4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carboxylate
SMILESCOC(=O)C1=C2c3ccccc3CCN2C(=O)CC1
InChIInChI=1S/C15H15NO3/c1-19-15(18)12-6-7-13(17)16-9-8-10-4-2-3-5-11(10)14(12)16/h2-5H,6-9H2,1H3
InChIKeyKJOGSVZPEAEJNG-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.75
Rot. Bonds1

About methyl 4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carboxylate

methyl 4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carboxylate (PubChem CID 10825029) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carboxylate
PubChem CID10825029
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carboxylate
SMILESCOC(=O)C1=C2c3ccccc3CCN2C(=O)CC1
InChIInChI=1S/C15H15NO3/c1-19-15(18)12-6-7-13(17)16-9-8-10-4-2-3-5-11(10)14(12)16/h2-5H,6-9H2,1H3
InChIKeyKJOGSVZPEAEJNG-UHFFFAOYSA-N
XLogP1.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-oxo-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylate
CID 23641083
methyl 11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxylate
CID 13152889
methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate
CID 18998711
5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylic acid
CID 59727199
1,2-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one
CID 69406087
2-(2,2-dimethylpropanoyl)-3,4-dihydroisoquinolin-1-one
CID 14738347
methyl (4S)-4-benzyl-1,6-dioxo-3,4,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-9-carboxylate
CID 7082520
1-(2-oxopyrrolidin-1-yl)-3,4-dihydronaphthalene-2-carbaldehyde
CID 102088796
1-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-9,12-dione
CID 11195004
1-methyl-3,4,5,6-tetrahydrobenzo[h]quinolin-2-one
CID 24974677
2,3,6,7-tetrahydropyrazino[2,1-a]isoquinolin-4-one
CID 150898716
methyl 2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate
CID 12948316

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carboxylate?
The IUPAC name of methyl 4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carboxylate (CID 10825029) is methyl 4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carboxylate.
What is the SMILES notation for methyl 4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carboxylate?
The canonical SMILES for methyl 4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carboxylate is COC(=O)C1=C2c3ccccc3CCN2C(=O)CC1.
What is the InChIKey of methyl 4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carboxylate?
The InChIKey is KJOGSVZPEAEJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-19-15(18)12-6-7-13(17)16-9-8-10-4-2-3-5-11(10)14(12)16/h2-5H,6-9H2,1H3.
What are the key properties of methyl 4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carboxylate?
methyl 4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carboxylate is sourced from PubChem (CID 10825029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).