2,3,8,9-tetramethoxynaphtho[1,2-c]cinnoline

C20H18N2O4 — CID 22716428

IUPAC2,3,8,9-tetramethoxynaphtho[1,2-c]cinnoline
SMILESCOc1cc2ccc3c4cc(OC)c(OC)cc4nnc3c2cc1OC
InChIInChI=1S/C20H18N2O4/c1-23-16-7-11-5-6-12-14-9-18(25-3)19(26-4)10-15(14)21-22-20(12)13(11)8-17(16)24-2/h5-10H,1-4H3
InChIKeyOMUIGKAGIWPDCY-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.97
Rot. Bonds4

About 2,3,8,9-tetramethoxynaphtho[1,2-c]cinnoline

2,3,8,9-tetramethoxynaphtho[1,2-c]cinnoline (PubChem CID 22716428) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2,3,8,9-tetramethoxynaphtho[1,2-c]cinnoline.

Molecular Properties

Compound Name2,3,8,9-tetramethoxynaphtho[1,2-c]cinnoline
PubChem CID22716428
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name2,3,8,9-tetramethoxynaphtho[1,2-c]cinnoline
SMILESCOc1cc2ccc3c4cc(OC)c(OC)cc4nnc3c2cc1OC
InChIInChI=1S/C20H18N2O4/c1-23-16-7-11-5-6-12-14-9-18(25-3)19(26-4)10-15(14)21-22-20(12)13(11)8-17(16)24-2/h5-10H,1-4H3
InChIKeyOMUIGKAGIWPDCY-UHFFFAOYSA-N
XLogP3.97
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,8,9-tetramethoxynaphtho[1,2-c]cinnoline?
The IUPAC name of 2,3,8,9-tetramethoxynaphtho[1,2-c]cinnoline (CID 22716428) is 2,3,8,9-tetramethoxynaphtho[1,2-c]cinnoline.
What is the SMILES notation for 2,3,8,9-tetramethoxynaphtho[1,2-c]cinnoline?
The canonical SMILES for 2,3,8,9-tetramethoxynaphtho[1,2-c]cinnoline is COc1cc2ccc3c4cc(OC)c(OC)cc4nnc3c2cc1OC.
What is the InChIKey of 2,3,8,9-tetramethoxynaphtho[1,2-c]cinnoline?
The InChIKey is OMUIGKAGIWPDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-23-16-7-11-5-6-12-14-9-18(25-3)19(26-4)10-15(14)21-22-20(12)13(11)8-17(16)24-2/h5-10H,1-4H3.
What are the key properties of 2,3,8,9-tetramethoxynaphtho[1,2-c]cinnoline?
2,3,8,9-tetramethoxynaphtho[1,2-c]cinnoline has a molecular weight of 350.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8,9-tetramethoxynaphtho[1,2-c]cinnoline is sourced from PubChem (CID 22716428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).