(12bS)-12-benzyl-12b-methyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine

C23H26N2 — CID 86325808

IUPAC(12bS)-12-benzyl-12b-methyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine
SMILESC[C@@]12CCCCN1CCc1c2n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C23H26N2/c1-23-14-7-8-15-24(23)16-13-20-19-11-5-6-12-21(19)25(22(20)23)17-18-9-3-2-4-10-18/h2-6,9-12H,7-8,13-17H2,1H3/t23-/m0/s1
InChIKeyZBJOXDVCELHJTF-QHCPKHFHSA-N
MW330.47 g/mol
LogP4.95
Rot. Bonds2

About (12bS)-12-benzyl-12b-methyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine

(12bS)-12-benzyl-12b-methyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine (PubChem CID 86325808) has the molecular formula C23H26N2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (12bS)-12-benzyl-12b-methyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine.

Molecular Properties

Compound Name(12bS)-12-benzyl-12b-methyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine
PubChem CID86325808
Molecular FormulaC23H26N2
Molecular Weight330.47 g/mol
Exact Mass330.21
IUPAC Name(12bS)-12-benzyl-12b-methyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine
SMILESC[C@@]12CCCCN1CCc1c2n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C23H26N2/c1-23-14-7-8-15-24(23)16-13-20-19-11-5-6-12-21(19)25(22(20)23)17-18-9-3-2-4-10-18/h2-6,9-12H,7-8,13-17H2,1H3/t23-/m0/s1
InChIKeyZBJOXDVCELHJTF-QHCPKHFHSA-N
XLogP4.95
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (12bS)-12-benzyl-12b-methyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine with MolForge

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Related Compounds

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CID 12759034
9-benzyl-1-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 91115191
ethane;4-ethyl-3,3-dimethyl-1,2-dihydrocyclopenta[b]indole
CID 158823600
2-benzyl-5-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
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(1S,11bR)-11-benzyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indole-1-carbonitrile
CID 10806131
(1S,12bR)-1-ethyl-12,12b-dimethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylic acid;ethanesulfonic acid
CID 88632265
(2S,5R)-16-benzyl-2-methyl-5-phenyl-3-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-7-one
CID 57386761
5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carbonitrile
CID 10566218
methyl (1S,21R)-3-benzyl-3,13-diazapentacyclo[11.7.1.02,10.04,9.017,21]henicosa-2(10),4,6,8,15,17-hexaene-1-carboxylate
CID 177493335
1-(5-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2,2-dimethylpropan-1-one
CID 42883294
2-benzyl-9-[(3-methoxyphenyl)methyl]-3,4-dihydropyrido[3,4-b]indole-1-thione
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1-benzyl-2,2-dimethylpyrrolidine
CID 10954329

Frequently Asked Questions

What is the IUPAC name of (12bS)-12-benzyl-12b-methyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine?
The IUPAC name of (12bS)-12-benzyl-12b-methyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine (CID 86325808) is (12bS)-12-benzyl-12b-methyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine.
What is the SMILES notation for (12bS)-12-benzyl-12b-methyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine?
The canonical SMILES for (12bS)-12-benzyl-12b-methyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine is C[C@@]12CCCCN1CCc1c2n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of (12bS)-12-benzyl-12b-methyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine?
The InChIKey is ZBJOXDVCELHJTF-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26N2/c1-23-14-7-8-15-24(23)16-13-20-19-11-5-6-12-21(19)25(22(20)23)17-18-9-3-2-4-10-18/h2-6,9-12H,7-8,13-17H2,1H3/t23-/m0/s1.
What are the key properties of (12bS)-12-benzyl-12b-methyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine?
(12bS)-12-benzyl-12b-methyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine has a molecular weight of 330.47 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (12bS)-12-benzyl-12b-methyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine is sourced from PubChem (CID 86325808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).