2,3-diethyl-10-methoxy-12H-indolo[2,3-a]quinolizin-5-ium

C20H21N2O+ — CID 10620094

IUPAC2,3-diethyl-10-methoxy-12H-indolo[2,3-a]quinolizin-5-ium
SMILESCCc1cc2c3[nH]c4cc(OC)ccc4c3cc[n+]2cc1CC
InChIInChI=1S/C20H20N2O/c1-4-13-10-19-20-17(8-9-22(19)12-14(13)5-2)16-7-6-15(23-3)11-18(16)21-20/h6-12H,4-5H2,1-3H3/p+1
InChIKeyFEXLNLZEPXKEMU-UHFFFAOYSA-O
MW305.40 g/mol
LogP4.19
Rot. Bonds3

About 2,3-diethyl-10-methoxy-12H-indolo[2,3-a]quinolizin-5-ium

2,3-diethyl-10-methoxy-12H-indolo[2,3-a]quinolizin-5-ium (PubChem CID 10620094) has the molecular formula C20H21N2O+ and a molecular weight of 305.40 g/mol. Its IUPAC name is 2,3-diethyl-10-methoxy-12H-indolo[2,3-a]quinolizin-5-ium.

Molecular Properties

Compound Name2,3-diethyl-10-methoxy-12H-indolo[2,3-a]quinolizin-5-ium
PubChem CID10620094
Molecular FormulaC20H21N2O+
Molecular Weight305.40 g/mol
Exact Mass305.16
IUPAC Name2,3-diethyl-10-methoxy-12H-indolo[2,3-a]quinolizin-5-ium
SMILESCCc1cc2c3[nH]c4cc(OC)ccc4c3cc[n+]2cc1CC
InChIInChI=1S/C20H20N2O/c1-4-13-10-19-20-17(8-9-22(19)12-14(13)5-2)16-7-6-15(23-3)11-18(16)21-20/h6-12H,4-5H2,1-3H3/p+1
InChIKeyFEXLNLZEPXKEMU-UHFFFAOYSA-O
XLogP4.19
TPSA29.12 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2,3-diethyl-10-methoxy-12H-indolo[2,3-a]quinolizin-5-ium with MolForge

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Related Compounds

7-methoxy-2-[6-(7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)hexyl]-1-methyl-9H-pyrido[3,4-b]indol-2-ium
CID 127046152
7-methoxy-16,17,18,19-tetrahydro-3H-yohimban-13-ium
CID 101358504
iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 25113429
1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine
CID 115044226
7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
CID 170743594
3-(hydroxymethyl)-7-methoxy-9H-carbazol-2-ol
CID 134815955
6-methoxy-1H-indole-2,3-dicarbaldehyde
CID 89262984
ethyl 2-(6-methoxy-3-methyl-1H-indol-2-yl)-2-oxoacetate
CID 115072762
7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one
CID 135764700
3-methoxy-5H-phenanthridin-6-one
CID 12706603
7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 24774105
2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol
CID 50923036

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-10-methoxy-12H-indolo[2,3-a]quinolizin-5-ium?
The IUPAC name of 2,3-diethyl-10-methoxy-12H-indolo[2,3-a]quinolizin-5-ium (CID 10620094) is 2,3-diethyl-10-methoxy-12H-indolo[2,3-a]quinolizin-5-ium.
What is the SMILES notation for 2,3-diethyl-10-methoxy-12H-indolo[2,3-a]quinolizin-5-ium?
The canonical SMILES for 2,3-diethyl-10-methoxy-12H-indolo[2,3-a]quinolizin-5-ium is CCc1cc2c3[nH]c4cc(OC)ccc4c3cc[n+]2cc1CC.
What is the InChIKey of 2,3-diethyl-10-methoxy-12H-indolo[2,3-a]quinolizin-5-ium?
The InChIKey is FEXLNLZEPXKEMU-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H20N2O/c1-4-13-10-19-20-17(8-9-22(19)12-14(13)5-2)16-7-6-15(23-3)11-18(16)21-20/h6-12H,4-5H2,1-3H3/p+1.
What are the key properties of 2,3-diethyl-10-methoxy-12H-indolo[2,3-a]quinolizin-5-ium?
2,3-diethyl-10-methoxy-12H-indolo[2,3-a]quinolizin-5-ium has a molecular weight of 305.40 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-10-methoxy-12H-indolo[2,3-a]quinolizin-5-ium is sourced from PubChem (CID 10620094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).