1-ethyl-6,7,12,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-4-one

C17H18N2O — CID 135086287

IUPAC1-ethyl-6,7,12,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-4-one
SMILESCCC1C=CC(=O)N2CCc3c([nH]c4ccccc34)C12
InChIInChI=1S/C17H18N2O/c1-2-11-7-8-15(20)19-10-9-13-12-5-3-4-6-14(12)18-16(13)17(11)19/h3-8,11,17-18H,2,9-10H2,1H3
InChIKeyFMWROVDKHVMKNH-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.19
Rot. Bonds1

About 1-ethyl-6,7,12,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-4-one

1-ethyl-6,7,12,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-4-one (PubChem CID 135086287) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-ethyl-6,7,12,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-4-one.

Molecular Properties

Compound Name1-ethyl-6,7,12,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-4-one
PubChem CID135086287
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-ethyl-6,7,12,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-4-one
SMILESCCC1C=CC(=O)N2CCc3c([nH]c4ccccc34)C12
InChIInChI=1S/C17H18N2O/c1-2-11-7-8-15(20)19-10-9-13-12-5-3-4-6-14(12)18-16(13)17(11)19/h3-8,11,17-18H,2,9-10H2,1H3
InChIKeyFMWROVDKHVMKNH-UHFFFAOYSA-N
XLogP3.19
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

ethane;2-methyl-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-one
CID 142977493
15-methyl-3,13,15-triazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-2(10),4,6,8,16,18,20-heptaen-14-one
CID 155810534
(1S,20S,21R)-20-ethyl-21-phenyl-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4,6,8,14,16,18-heptaene
CID 164666168
4-phenyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene-3,5-dione
CID 10313734
(2S,3R,8R)-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),5,14,16,18-pentaen-9-one
CID 92754297
3-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 10511740
(2S,3S,8R)-5-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),5,14,16,18-pentaen-9-one
CID 928785
(1S)-1-[(1S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]propan-1-ol
CID 24840664
1-[(1R)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one
CID 94208009
methyl (1S,3R,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-1-carboxylate
CID 15287603
1-[(1S)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]butan-1-one
CID 92730348
3-ethyl-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizin-4-one
CID 13278040

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,7,12,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-4-one?
The IUPAC name of 1-ethyl-6,7,12,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-4-one (CID 135086287) is 1-ethyl-6,7,12,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-4-one.
What is the SMILES notation for 1-ethyl-6,7,12,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-4-one?
The canonical SMILES for 1-ethyl-6,7,12,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-4-one is CCC1C=CC(=O)N2CCc3c([nH]c4ccccc34)C12.
What is the InChIKey of 1-ethyl-6,7,12,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-4-one?
The InChIKey is FMWROVDKHVMKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-11-7-8-15(20)19-10-9-13-12-5-3-4-6-14(12)18-16(13)17(11)19/h3-8,11,17-18H,2,9-10H2,1H3.
What are the key properties of 1-ethyl-6,7,12,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-4-one?
1-ethyl-6,7,12,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-4-one has a molecular weight of 266.34 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,7,12,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-4-one is sourced from PubChem (CID 135086287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).