9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol

C19H18NO3+ — CID 169054619

IUPAC9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol
SMILESCOc1ccc2cc3[n+](cc2c1OC)CCc1ccc(O)cc1-3
InChIInChI=1S/C19H17NO3/c1-22-18-6-4-13-9-17-15-10-14(21)5-3-12(15)7-8-20(17)11-16(13)19(18)23-2/h3-6,9-11H,7-8H2,1-2H3/p+1
InChIKeyJRFGAMCHHNANFI-UHFFFAOYSA-O
MW308.36 g/mol
LogP3.07
Rot. Bonds2

About 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol

9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol (PubChem CID 169054619) has the molecular formula C19H18NO3+ and a molecular weight of 308.36 g/mol. Its IUPAC name is 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol.

Molecular Properties

Compound Name9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol
PubChem CID169054619
Molecular FormulaC19H18NO3+
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol
SMILESCOc1ccc2cc3[n+](cc2c1OC)CCc1ccc(O)cc1-3
InChIInChI=1S/C19H17NO3/c1-22-18-6-4-13-9-17-15-10-14(21)5-3-12(15)7-8-20(17)11-16(13)19(18)23-2/h3-6,9-11H,7-8H2,1-2H3/p+1
InChIKeyJRFGAMCHHNANFI-UHFFFAOYSA-O
XLogP3.07
TPSA42.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol?
The IUPAC name of 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol (CID 169054619) is 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol.
What is the SMILES notation for 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol?
The canonical SMILES for 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol is COc1ccc2cc3[n+](cc2c1OC)CCc1ccc(O)cc1-3.
What is the InChIKey of 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol?
The InChIKey is JRFGAMCHHNANFI-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H17NO3/c1-22-18-6-4-13-9-17-15-10-14(21)5-3-12(15)7-8-20(17)11-16(13)19(18)23-2/h3-6,9-11H,7-8H2,1-2H3/p+1.
What are the key properties of 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol?
9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol has a molecular weight of 308.36 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol is sourced from PubChem (CID 169054619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).