spiro[3,6,7,12-tetrahydroindolo[2,3-a]quinolizine-2,1'-cyclohexane]-4-one

C20H22N2O — CID 165342130

IUPACspiro[3,6,7,12-tetrahydroindolo[2,3-a]quinolizine-2,1'-cyclohexane]-4-one
SMILESO=C1CC2(C=C3c4[nH]c5ccccc5c4CCN13)CCCCC2
InChIInChI=1S/C20H22N2O/c23-18-13-20(9-4-1-5-10-20)12-17-19-15(8-11-22(17)18)14-6-2-3-7-16(14)21-19/h2-3,6-7,12,21H,1,4-5,8-11,13H2
InChIKeyWYPPJFZBCKKIDC-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.25
Rot. Bonds

About spiro[3,6,7,12-tetrahydroindolo[2,3-a]quinolizine-2,1'-cyclohexane]-4-one

spiro[3,6,7,12-tetrahydroindolo[2,3-a]quinolizine-2,1'-cyclohexane]-4-one (PubChem CID 165342130) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is spiro[3,6,7,12-tetrahydroindolo[2,3-a]quinolizine-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Namespiro[3,6,7,12-tetrahydroindolo[2,3-a]quinolizine-2,1'-cyclohexane]-4-one
PubChem CID165342130
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Namespiro[3,6,7,12-tetrahydroindolo[2,3-a]quinolizine-2,1'-cyclohexane]-4-one
SMILESO=C1CC2(C=C3c4[nH]c5ccccc5c4CCN13)CCCCC2
InChIInChI=1S/C20H22N2O/c23-18-13-20(9-4-1-5-10-20)12-17-19-15(8-11-22(17)18)14-6-2-3-7-16(14)21-19/h2-3,6-7,12,21H,1,4-5,8-11,13H2
InChIKeyWYPPJFZBCKKIDC-UHFFFAOYSA-N
XLogP4.25
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze spiro[3,6,7,12-tetrahydroindolo[2,3-a]quinolizine-2,1'-cyclohexane]-4-one with MolForge

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Related Compounds

3-ethyl-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizin-4-one
CID 13278040
4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,10,12,14-pentaene
CID 24864743
2-acetylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,2'-cyclohexane]-1'-one
CID 12863267
methyl 4-oxo-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylate
CID 23641083
2-methyl-2-(2-piperidin-1-ylethyl)-4,9-dihydro-3H-carbazol-1-one
CID 91754487
(11bR)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate
CID 2094166
14,14-dimethyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaene
CID 15428295
(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
(12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one
CID 23874775
3,11,12,14-tetrahydroyohimban
CID 11288762
(Z)-N-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]-2,3,4,9-tetrahydrocarbazol-1-imine
CID 135400598
ethyl spiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,1'-cyclohexane]-2-carboxylate
CID 143235035

Frequently Asked Questions

What is the IUPAC name of spiro[3,6,7,12-tetrahydroindolo[2,3-a]quinolizine-2,1'-cyclohexane]-4-one?
The IUPAC name of spiro[3,6,7,12-tetrahydroindolo[2,3-a]quinolizine-2,1'-cyclohexane]-4-one (CID 165342130) is spiro[3,6,7,12-tetrahydroindolo[2,3-a]quinolizine-2,1'-cyclohexane]-4-one.
What is the SMILES notation for spiro[3,6,7,12-tetrahydroindolo[2,3-a]quinolizine-2,1'-cyclohexane]-4-one?
The canonical SMILES for spiro[3,6,7,12-tetrahydroindolo[2,3-a]quinolizine-2,1'-cyclohexane]-4-one is O=C1CC2(C=C3c4[nH]c5ccccc5c4CCN13)CCCCC2.
What is the InChIKey of spiro[3,6,7,12-tetrahydroindolo[2,3-a]quinolizine-2,1'-cyclohexane]-4-one?
The InChIKey is WYPPJFZBCKKIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c23-18-13-20(9-4-1-5-10-20)12-17-19-15(8-11-22(17)18)14-6-2-3-7-16(14)21-19/h2-3,6-7,12,21H,1,4-5,8-11,13H2.
What are the key properties of spiro[3,6,7,12-tetrahydroindolo[2,3-a]quinolizine-2,1'-cyclohexane]-4-one?
spiro[3,6,7,12-tetrahydroindolo[2,3-a]quinolizine-2,1'-cyclohexane]-4-one has a molecular weight of 306.41 g/mol, XLogP of 4.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,6,7,12-tetrahydroindolo[2,3-a]quinolizine-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 165342130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).