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

C17H18N2O — CID 13278040

IUPAC3-ethyl-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizin-4-one
SMILESCCC1CC=C2c3[nH]c4ccccc4c3CCN2C1=O
InChIInChI=1S/C17H18N2O/c1-2-11-7-8-15-16-13(9-10-19(15)17(11)20)12-5-3-4-6-14(12)18-16/h3-6,8,11,18H,2,7,9-10H2,1H3
InChIKeyYMUIXPTYAKHHOC-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.32
Rot. Bonds1

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

3-ethyl-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizin-4-one (PubChem CID 13278040) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-ethyl-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizin-4-one.

Molecular Properties

Compound Name3-ethyl-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizin-4-one
PubChem CID13278040
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-ethyl-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizin-4-one
SMILESCCC1CC=C2c3[nH]c4ccccc4c3CCN2C1=O
InChIInChI=1S/C17H18N2O/c1-2-11-7-8-15-16-13(9-10-19(15)17(11)20)12-5-3-4-6-14(12)18-16/h3-6,8,11,18H,2,7,9-10H2,1H3
InChIKeyYMUIXPTYAKHHOC-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 10511740
(5R)-5-ethyl-4-(2-hydroxyethyl)-7-methyl-7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-one
CID 177482511
1-ethyl-6,7,12,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-4-one
CID 135086287
spiro[3,6,7,12-tetrahydroindolo[2,3-a]quinolizine-2,1'-cyclohexane]-4-one
CID 165342130
1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole
CID 70535428
1-ethyl-3-(4-nitrophenyl)-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizin-4-one
CID 13278045
4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,10,12,14-pentaene
CID 24864743
methyl 4-oxo-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylate
CID 23641083
(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
16-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene
CID 163002483
methyl (2R)-2-ethyl-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate
CID 56849963
3-ethyl-2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl)-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine
CID 163022349

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizin-4-one?
The IUPAC name of 3-ethyl-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizin-4-one (CID 13278040) is 3-ethyl-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizin-4-one.
What is the SMILES notation for 3-ethyl-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizin-4-one?
The canonical SMILES for 3-ethyl-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizin-4-one is CCC1CC=C2c3[nH]c4ccccc4c3CCN2C1=O.
What is the InChIKey of 3-ethyl-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizin-4-one?
The InChIKey is YMUIXPTYAKHHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-11-7-8-15-16-13(9-10-19(15)17(11)20)12-5-3-4-6-14(12)18-16/h3-6,8,11,18H,2,7,9-10H2,1H3.
What are the key properties of 3-ethyl-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizin-4-one?
3-ethyl-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizin-4-one has a molecular weight of 266.34 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizin-4-one is sourced from PubChem (CID 13278040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).