(12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one

C19H24N2O — CID 23874775

IUPAC(12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one
SMILESCCCC[C@]12CCCC(=O)N1CCc1c2[nH]c2ccccc12
InChIInChI=1S/C19H24N2O/c1-2-3-11-19-12-6-9-17(22)21(19)13-10-15-14-7-4-5-8-16(14)20-18(15)19/h4-5,7-8,20H,2-3,6,9-13H2,1H3/t19-/m1/s1
InChIKeyBWNZTRKQPPIJDY-LJQANCHMSA-N
MW296.41 g/mol
LogP4.12
Rot. Bonds3

About (12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one

(12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one (PubChem CID 23874775) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one.

Molecular Properties

Compound Name(12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one
PubChem CID23874775
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one
SMILESCCCC[C@]12CCCC(=O)N1CCc1c2[nH]c2ccccc12
InChIInChI=1S/C19H24N2O/c1-2-3-11-19-12-6-9-17(22)21(19)13-10-15-14-7-4-5-8-16(14)20-18(15)19/h4-5,7-8,20H,2-3,6,9-13H2,1H3/t19-/m1/s1
InChIKeyBWNZTRKQPPIJDY-LJQANCHMSA-N
XLogP4.12
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one with MolForge

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Related Compounds

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(11bR)-8-bromo-11b-dodecyl-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indol-3-one
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(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 4-(2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-12b-yl)butanoate
CID 614514
(11bR)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate
CID 2094166
(2R)-5-(4-fluorophenyl)-2-methyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one
CID 102440811
(11bR)-11b-methyl-6,11-dihydro-5H-indolizino[8,7-b]indol-3-one
CID 23789353
(1R,3S,12bS)-12b-butyl-3-methyl-1-(thiophene-2-carbonyl)-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one
CID 122410982
ethyl (1S,12bS)-12b-methyl-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carboxylate
CID 101256710
1-(1-ethyl-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-yl)ethanone
CID 73294070
2-hydroxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14,16,18-heptaen-9-one
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2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-thiane]
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Frequently Asked Questions

What is the IUPAC name of (12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one?
The IUPAC name of (12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one (CID 23874775) is (12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one.
What is the SMILES notation for (12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one?
The canonical SMILES for (12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one is CCCC[C@]12CCCC(=O)N1CCc1c2[nH]c2ccccc12.
What is the InChIKey of (12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one?
The InChIKey is BWNZTRKQPPIJDY-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-3-11-19-12-6-9-17(22)21(19)13-10-15-14-7-4-5-8-16(14)20-18(15)19/h4-5,7-8,20H,2-3,6,9-13H2,1H3/t19-/m1/s1.
What are the key properties of (12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one?
(12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one has a molecular weight of 296.41 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one is sourced from PubChem (CID 23874775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).