10-methoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol

C19H16NO2+ — CID 21417455

IUPAC10-methoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol
SMILESCOc1ccc2c(C)c3c4ccccc4cc[n+]3cc2c1O
InChIInChI=1S/C19H15NO2/c1-12-14-7-8-17(22-2)19(21)16(14)11-20-10-9-13-5-3-4-6-15(13)18(12)20/h3-11H,1-2H3/p+1
InChIKeyAUPZCCCEBQOPDM-UHFFFAOYSA-O
MW290.34 g/mol
LogP3.75
Rot. Bonds1

About 10-methoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol

10-methoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol (PubChem CID 21417455) has the molecular formula C19H16NO2+ and a molecular weight of 290.34 g/mol. Its IUPAC name is 10-methoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol.

Molecular Properties

Compound Name10-methoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol
PubChem CID21417455
Molecular FormulaC19H16NO2+
Molecular Weight290.34 g/mol
Exact Mass290.12
IUPAC Name10-methoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol
SMILESCOc1ccc2c(C)c3c4ccccc4cc[n+]3cc2c1O
InChIInChI=1S/C19H15NO2/c1-12-14-7-8-17(22-2)19(21)16(14)11-20-10-9-13-5-3-4-6-15(13)18(12)20/h3-11H,1-2H3/p+1
InChIKeyAUPZCCCEBQOPDM-UHFFFAOYSA-O
XLogP3.75
TPSA33.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 10-methoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol with MolForge

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Related Compounds

10-ethoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide
CID 21417685
10-methoxyisoquinolino[2,1-b]isoquinolin-7-ium-2,3,9-triol
CID 21417601
3,10-dimethoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-ol
CID 21417534
1-methoxybenzo[a]quinolizin-5-ium;trifluoromethanesulfonate
CID 135005740
(10-methoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-yl) acetate
CID 21417491
2-methoxy-5-[(2-oxidoisoquinolin-2-ium-1-yl)methyl]phenol
CID 86236012
2,4-dimethoxynaphthalen-1-ol
CID 12563547
2,3,10-trimethoxy-8,13-dimethylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide
CID 21417570
10-methoxyisoquinolino[2,1-b]isoquinolin-7-ium-1,2,3,4,9-pentol
CID 88823218
1-methylbenzo[a]quinolizin-5-ium
CID 14709339
3,6-dimethoxy-2-methylphenol
CID 13158257
17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,11,14,16,18,20-nonaen-16-ol
CID 58033344

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol?
The IUPAC name of 10-methoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol (CID 21417455) is 10-methoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol.
What is the SMILES notation for 10-methoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol?
The canonical SMILES for 10-methoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol is COc1ccc2c(C)c3c4ccccc4cc[n+]3cc2c1O.
What is the InChIKey of 10-methoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol?
The InChIKey is AUPZCCCEBQOPDM-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H15NO2/c1-12-14-7-8-17(22-2)19(21)16(14)11-20-10-9-13-5-3-4-6-15(13)18(12)20/h3-11H,1-2H3/p+1.
What are the key properties of 10-methoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol?
10-methoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol has a molecular weight of 290.34 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol is sourced from PubChem (CID 21417455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).