1-ethyl-12b-methyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carbaldehyde

C19H24N2O — CID 90688689

IUPAC1-ethyl-12b-methyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carbaldehyde
SMILESCCC1(C=O)CCCN2CCc3c([nH]c4ccccc34)C21C
InChIInChI=1S/C19H24N2O/c1-3-19(13-22)10-6-11-21-12-9-15-14-7-4-5-8-16(14)20-17(15)18(19,21)2/h4-5,7-8,13,20H,3,6,9-12H2,1-2H3
InChIKeyFXOHJLCPOLBDGZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.63
Rot. Bonds2

About 1-ethyl-12b-methyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carbaldehyde

1-ethyl-12b-methyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carbaldehyde (PubChem CID 90688689) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-ethyl-12b-methyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-12b-methyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carbaldehyde
PubChem CID90688689
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-ethyl-12b-methyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carbaldehyde
SMILESCCC1(C=O)CCCN2CCc3c([nH]c4ccccc34)C21C
InChIInChI=1S/C19H24N2O/c1-3-19(13-22)10-6-11-21-12-9-15-14-7-4-5-8-16(14)20-17(15)18(19,21)2/h4-5,7-8,13,20H,3,6,9-12H2,1-2H3
InChIKeyFXOHJLCPOLBDGZ-UHFFFAOYSA-N
XLogP3.63
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole
CID 45098939
(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
(1S)-1-methyl-11,12,14,21-tetrahydro-3H-yohimban
CID 162788262
1-(1-ethyl-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-yl)ethanone
CID 73294070
2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-thiane]
CID 10468482
diethyl (17S)-17-ethyl-21-oxa-3,13-diazapentacyclo[11.8.0.01,17.02,10.04,9]henicosa-2(10),4,6,8-tetraene-19,19-dicarboxylate
CID 10895704
(3S,12bS)-3,12b-dimethyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizine
CID 800127
(2S,5R)-2-methyl-5-propyl-7,18-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),12,14,16-tetraene
CID 7078475
[(1R,12bR)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]-phenylmethanol
CID 70473466
ethyl spiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,1'-cyclohexane]-2-carboxylate
CID 143235035
methyl 4-(2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-12b-yl)butanoate
CID 614514
(12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one
CID 23874775

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-12b-methyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carbaldehyde?
The IUPAC name of 1-ethyl-12b-methyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carbaldehyde (CID 90688689) is 1-ethyl-12b-methyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carbaldehyde.
What is the SMILES notation for 1-ethyl-12b-methyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carbaldehyde?
The canonical SMILES for 1-ethyl-12b-methyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carbaldehyde is CCC1(C=O)CCCN2CCc3c([nH]c4ccccc34)C21C.
What is the InChIKey of 1-ethyl-12b-methyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carbaldehyde?
The InChIKey is FXOHJLCPOLBDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-19(13-22)10-6-11-21-12-9-15-14-7-4-5-8-16(14)20-17(15)18(19,21)2/h4-5,7-8,13,20H,3,6,9-12H2,1-2H3.
What are the key properties of 1-ethyl-12b-methyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carbaldehyde?
1-ethyl-12b-methyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carbaldehyde has a molecular weight of 296.41 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-12b-methyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carbaldehyde is sourced from PubChem (CID 90688689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).