methyl 4-(2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-12b-yl)butanoate

C20H26N2O2 — CID 614514

IUPACmethyl 4-(2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-12b-yl)butanoate
SMILESCOC(=O)CCCC12CCCCN1CCc1c2[nH]c2ccccc12
InChIInChI=1S/C20H26N2O2/c1-24-18(23)9-6-12-20-11-4-5-13-22(20)14-10-16-15-7-2-3-8-17(15)21-19(16)20/h2-3,7-8,21H,4-6,9-14H2,1H3
InChIKeyQZRHUXCSLCSSGV-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.75
Rot. Bonds4

About methyl 4-(2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-12b-yl)butanoate

methyl 4-(2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-12b-yl)butanoate (PubChem CID 614514) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is methyl 4-(2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-12b-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-12b-yl)butanoate
PubChem CID614514
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Namemethyl 4-(2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-12b-yl)butanoate
SMILESCOC(=O)CCCC12CCCCN1CCc1c2[nH]c2ccccc12
InChIInChI=1S/C20H26N2O2/c1-24-18(23)9-6-12-20-11-4-5-13-22(20)14-10-16-15-7-2-3-8-17(15)21-19(16)20/h2-3,7-8,21H,4-6,9-14H2,1H3
InChIKeyQZRHUXCSLCSSGV-UHFFFAOYSA-N
XLogP3.75
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-(2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-12b-yl)butanoate with MolForge

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Launch Full Analysis

Related Compounds

(12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one
CID 23874775
methyl 3-[(11bR)-1-oxo-2,3-diphenyl-6,11-dihydro-5H-indolizino[8,7-b]indol-11b-yl]propanoate
CID 162404685
methyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate
CID 129405058
methyl 3-(1-butyl-3,4,6,7,12,12b-hexahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanoate
CID 626504
fluorobenzene;methyl 4-[4'-(dimethylamino)spiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,1'-cyclohexane]-2-yl]-4-oxobutanoate
CID 143307054
methyl 3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4,6,8-tetraene-1-carboxylate
CID 170405802
ethyl spiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,1'-cyclohexane]-2-carboxylate
CID 143235035
methyl 4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]butanoate
CID 143746956
(1S,17S)-17-ethyl-20-pentyl-3,13,20-triazapentacyclo[11.7.0.01,17.02,10.04,9]icosa-2(10),4,6,8-tetraen-19-one
CID 153284553
methyl 3-[(1S,12bS)-1-ethyl-4-oxo-2,3,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-1-yl]propanoate
CID 134990220
methyl 4-(1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-4-oxobutanoate
CID 110666295
methyl (1S)-1-(3-methoxy-3-oxopropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 102517695

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-12b-yl)butanoate?
The IUPAC name of methyl 4-(2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-12b-yl)butanoate (CID 614514) is methyl 4-(2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-12b-yl)butanoate.
What is the SMILES notation for methyl 4-(2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-12b-yl)butanoate?
The canonical SMILES for methyl 4-(2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-12b-yl)butanoate is COC(=O)CCCC12CCCCN1CCc1c2[nH]c2ccccc12.
What is the InChIKey of methyl 4-(2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-12b-yl)butanoate?
The InChIKey is QZRHUXCSLCSSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-24-18(23)9-6-12-20-11-4-5-13-22(20)14-10-16-15-7-2-3-8-17(15)21-19(16)20/h2-3,7-8,21H,4-6,9-14H2,1H3.
What are the key properties of methyl 4-(2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-12b-yl)butanoate?
methyl 4-(2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-12b-yl)butanoate has a molecular weight of 326.44 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-12b-yl)butanoate is sourced from PubChem (CID 614514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).