8-methyl-6H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol

C18H15NO4 — CID 87510200

IUPAC8-methyl-6H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol
SMILESCC1=c2cc(O)c(O)cc2=CC2=c3cc(O)c(O)cc3=CCN12
InChIInChI=1S/C18H15NO4/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/h2,4-8,20-23H,3H2,1H3
InChIKeyCEUOALDKAJKWSS-UHFFFAOYSA-N
MW309.32 g/mol
LogP-0.66
Rot. Bonds

About 8-methyl-6H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol

8-methyl-6H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol (PubChem CID 87510200) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 8-methyl-6H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol.

Molecular Properties

Compound Name8-methyl-6H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol
PubChem CID87510200
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name8-methyl-6H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol
SMILESCC1=c2cc(O)c(O)cc2=CC2=c3cc(O)c(O)cc3=CCN12
InChIInChI=1S/C18H15NO4/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/h2,4-8,20-23H,3H2,1H3
InChIKeyCEUOALDKAJKWSS-UHFFFAOYSA-N
XLogP-0.66
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol?
The IUPAC name of 8-methyl-6H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol (CID 87510200) is 8-methyl-6H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol.
What is the SMILES notation for 8-methyl-6H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol?
The canonical SMILES for 8-methyl-6H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol is CC1=c2cc(O)c(O)cc2=CC2=c3cc(O)c(O)cc3=CCN12.
What is the InChIKey of 8-methyl-6H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol?
The InChIKey is CEUOALDKAJKWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/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/h2,4-8,20-23H,3H2,1H3.
What are the key properties of 8-methyl-6H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol?
8-methyl-6H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol has a molecular weight of 309.32 g/mol, XLogP of -0.66, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol is sourced from PubChem (CID 87510200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).