8-methyl-1,6-dihydroisoquinolino[2,1-b]isoquinolin-1-ylium-2,3,10,11-tetrol

C18H14NO4+ — CID 86641625

IUPAC8-methyl-1,6-dihydroisoquinolino[2,1-b]isoquinolin-1-ylium-2,3,10,11-tetrol
SMILESCC1=c2cc(O)c(O)cc2=CC2=C3[C+]=C(O)C(O)=CC3=CCN21
InChIInChI=1S/C18H13NO4/c1-9-12-7-17(22)16(21)6-11(12)4-14-13-8-18(23)15(20)5-10(13)2-3-19(9)14/h2,4-7H,3H2,1H3,(H3-,20,21,22,23)/p+1
InChIKeyARYNUCSLWHKOBS-UHFFFAOYSA-O
MW308.31 g/mol
LogP1.22
Rot. Bonds

About 8-methyl-1,6-dihydroisoquinolino[2,1-b]isoquinolin-1-ylium-2,3,10,11-tetrol

8-methyl-1,6-dihydroisoquinolino[2,1-b]isoquinolin-1-ylium-2,3,10,11-tetrol (PubChem CID 86641625) has the molecular formula C18H14NO4+ and a molecular weight of 308.31 g/mol. Its IUPAC name is 8-methyl-1,6-dihydroisoquinolino[2,1-b]isoquinolin-1-ylium-2,3,10,11-tetrol.

Molecular Properties

Compound Name8-methyl-1,6-dihydroisoquinolino[2,1-b]isoquinolin-1-ylium-2,3,10,11-tetrol
PubChem CID86641625
Molecular FormulaC18H14NO4+
Molecular Weight308.31 g/mol
Exact Mass308.09
IUPAC Name8-methyl-1,6-dihydroisoquinolino[2,1-b]isoquinolin-1-ylium-2,3,10,11-tetrol
SMILESCC1=c2cc(O)c(O)cc2=CC2=C3[C+]=C(O)C(O)=CC3=CCN21
InChIInChI=1S/C18H13NO4/c1-9-12-7-17(22)16(21)6-11(12)4-14-13-8-18(23)15(20)5-10(13)2-3-19(9)14/h2,4-7H,3H2,1H3,(H3-,20,21,22,23)/p+1
InChIKeyARYNUCSLWHKOBS-UHFFFAOYSA-O
XLogP1.22
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

8-Methyl-isoquino[3,2-a]isoquinolinylium-2,3,10,11-tetraol chloride
CID 86641624
8-methyl-6H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol
CID 87510200
4H-benzo[g]quinolizin-1-ol
CID 154373347

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,6-dihydroisoquinolino[2,1-b]isoquinolin-1-ylium-2,3,10,11-tetrol?
The IUPAC name of 8-methyl-1,6-dihydroisoquinolino[2,1-b]isoquinolin-1-ylium-2,3,10,11-tetrol (CID 86641625) is 8-methyl-1,6-dihydroisoquinolino[2,1-b]isoquinolin-1-ylium-2,3,10,11-tetrol.
What is the SMILES notation for 8-methyl-1,6-dihydroisoquinolino[2,1-b]isoquinolin-1-ylium-2,3,10,11-tetrol?
The canonical SMILES for 8-methyl-1,6-dihydroisoquinolino[2,1-b]isoquinolin-1-ylium-2,3,10,11-tetrol is CC1=c2cc(O)c(O)cc2=CC2=C3[C+]=C(O)C(O)=CC3=CCN21.
What is the InChIKey of 8-methyl-1,6-dihydroisoquinolino[2,1-b]isoquinolin-1-ylium-2,3,10,11-tetrol?
The InChIKey is ARYNUCSLWHKOBS-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H13NO4/c1-9-12-7-17(22)16(21)6-11(12)4-14-13-8-18(23)15(20)5-10(13)2-3-19(9)14/h2,4-7H,3H2,1H3,(H3-,20,21,22,23)/p+1.
What are the key properties of 8-methyl-1,6-dihydroisoquinolino[2,1-b]isoquinolin-1-ylium-2,3,10,11-tetrol?
8-methyl-1,6-dihydroisoquinolino[2,1-b]isoquinolin-1-ylium-2,3,10,11-tetrol has a molecular weight of 308.31 g/mol, XLogP of 1.22, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,6-dihydroisoquinolino[2,1-b]isoquinolin-1-ylium-2,3,10,11-tetrol is sourced from PubChem (CID 86641625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).