7-methyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium-3-ol

C18H20NO+ — CID 11653122

IUPAC7-methyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium-3-ol
SMILESC[N+]12CCc3ccccc3C1c1ccc(O)cc1CC2
InChIInChI=1S/C18H19NO/c1-19-10-8-13-4-2-3-5-16(13)18(19)17-7-6-15(20)12-14(17)9-11-19/h2-7,12,18H,8-11H2,1H3/p+1
InChIKeyOABMTVZZDVBTFE-UHFFFAOYSA-O
MW266.36 g/mol
LogP3.04
Rot. Bonds

About 7-methyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium-3-ol

7-methyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium-3-ol (PubChem CID 11653122) has the molecular formula C18H20NO+ and a molecular weight of 266.36 g/mol. Its IUPAC name is 7-methyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium-3-ol.

Molecular Properties

Compound Name7-methyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium-3-ol
PubChem CID11653122
Molecular FormulaC18H20NO+
Molecular Weight266.36 g/mol
Exact Mass266.15
IUPAC Name7-methyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium-3-ol
SMILESC[N+]12CCc3ccccc3C1c1ccc(O)cc1CC2
InChIInChI=1S/C18H19NO/c1-19-10-8-13-4-2-3-5-16(13)18(19)17-7-6-15(20)12-14(17)9-11-19/h2-7,12,18H,8-11H2,1H3/p+1
InChIKeyOABMTVZZDVBTFE-UHFFFAOYSA-O
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 7-methyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-7-methyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium-2-ol iodide
CID 11669109
8-methyl-3-phenylmethoxy-7,9,10,14b-tetrahydro-6H-isoquinolino[2,1-d][1,4]benzoxazepin-8-ium
CID 11431997
2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol;hydrobromide
CID 22619637
1-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,1-dimethylazetidin-1-ium-3-amine
CID 90475714
spiro[1,3-dihydroindene-2,6'-7,8-dihydro-5H-naphthalene]-2'-ol
CID 91293729
5-ethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22998647
(1S,2S)-1-ethyl-2-methanidyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium
CID 10103975
2-methyl-4,8b-dihydro-3H-oxazireno[3,2-a]isoquinolin-2-ium
CID 10830482
6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 142258016
9,10-dihydrophenanthren-2-ol;ethane
CID 91093084
2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-6-ol
CID 71292959
1-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682115

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium-3-ol?
The IUPAC name of 7-methyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium-3-ol (CID 11653122) is 7-methyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium-3-ol.
What is the SMILES notation for 7-methyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium-3-ol?
The canonical SMILES for 7-methyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium-3-ol is C[N+]12CCc3ccccc3C1c1ccc(O)cc1CC2.
What is the InChIKey of 7-methyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium-3-ol?
The InChIKey is OABMTVZZDVBTFE-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19NO/c1-19-10-8-13-4-2-3-5-16(13)18(19)17-7-6-15(20)12-14(17)9-11-19/h2-7,12,18H,8-11H2,1H3/p+1.
What are the key properties of 7-methyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium-3-ol?
7-methyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium-3-ol has a molecular weight of 266.36 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium-3-ol is sourced from PubChem (CID 11653122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).