methyl (2R)-2-ethyl-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate

C19H20N2O2 — CID 56849963

IUPACmethyl (2R)-2-ethyl-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate
SMILESCC[C@@H]1C=CN2CCc3c([nH]c4ccccc34)C2=C1C(=O)OC
InChIInChI=1S/C19H20N2O2/c1-3-12-8-10-21-11-9-14-13-6-4-5-7-15(13)20-17(14)18(21)16(12)19(22)23-2/h4-8,10,12,20H,3,9,11H2,1-2H3/t12-/m1/s1
InChIKeyZPJLCCQEEOBJFO-GFCCVEGCSA-N
MW308.38 g/mol
LogP3.46
Rot. Bonds2

About methyl (2R)-2-ethyl-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate

methyl (2R)-2-ethyl-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate (PubChem CID 56849963) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl (2R)-2-ethyl-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-ethyl-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate
PubChem CID56849963
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Namemethyl (2R)-2-ethyl-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate
SMILESCC[C@@H]1C=CN2CCc3c([nH]c4ccccc34)C2=C1C(=O)OC
InChIInChI=1S/C19H20N2O2/c1-3-12-8-10-21-11-9-14-13-6-4-5-7-15(13)20-17(14)18(21)16(12)19(22)23-2/h4-8,10,12,20H,3,9,11H2,1-2H3/t12-/m1/s1
InChIKeyZPJLCCQEEOBJFO-GFCCVEGCSA-N
XLogP3.46
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-2-ethyl-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate with MolForge

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Related Compounds

methyl (2S)-2-(4-fluorophenyl)-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate
CID 56849959
methyl 4-oxo-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylate
CID 23641083
1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole
CID 70535428
methyl 3-(5-chloro-2-hydroxybenzoyl)-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate
CID 71082631
ethyl 3-(4-methoxycarbonylbenzoyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate
CID 66641031
13-methoxycarbonyl-11,22-diazapentacyclo[13.7.0.04,12.05,10.016,21]docosa-1(15),2,4(12),5,7,9,13,16,18,20-decaene-2-carboxylic acid
CID 74052599
methyl (6E)-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,4,5,8-tetrahydro-1H-azonino[5,4-b]indole-7-carboxylate
CID 11824391
methyl (1S,3R,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-1-carboxylate
CID 15287603
methyl 4-[2-(2,2-difluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorobenzoate
CID 164924257
methyl 4-(2-hexanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)benzoate
CID 126738731
methyl 1,3,11,12-tetrahydroyohimban-19-carboxylate
CID 163117096
methyl 4-oxo-6,7,12,12b-tetrahydro-1H-indolo[2,3-a]quinolizine-3-carboxylate
CID 10756340

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-ethyl-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate?
The IUPAC name of methyl (2R)-2-ethyl-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate (CID 56849963) is methyl (2R)-2-ethyl-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate.
What is the SMILES notation for methyl (2R)-2-ethyl-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate?
The canonical SMILES for methyl (2R)-2-ethyl-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate is CC[C@@H]1C=CN2CCc3c([nH]c4ccccc34)C2=C1C(=O)OC.
What is the InChIKey of methyl (2R)-2-ethyl-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate?
The InChIKey is ZPJLCCQEEOBJFO-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-12-8-10-21-11-9-14-13-6-4-5-7-15(13)20-17(14)18(21)16(12)19(22)23-2/h4-8,10,12,20H,3,9,11H2,1-2H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-ethyl-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate?
methyl (2R)-2-ethyl-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-ethyl-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate is sourced from PubChem (CID 56849963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).