3,8-dimethoxypyridazino[1,2-a]cinnoline

C14H14N2O2 — CID 22133731

IUPAC3,8-dimethoxypyridazino[1,2-a]cinnoline
SMILESCOC1=CN2C=Cc3c(OC)cccc3N2C=C1
InChIInChI=1S/C14H14N2O2/c1-17-11-6-9-16-13-4-3-5-14(18-2)12(13)7-8-15(16)10-11/h3-10H,1-2H3
InChIKeyACZSRRNSYLVRKY-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.72
Rot. Bonds2

About 3,8-dimethoxypyridazino[1,2-a]cinnoline

3,8-dimethoxypyridazino[1,2-a]cinnoline (PubChem CID 22133731) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3,8-dimethoxypyridazino[1,2-a]cinnoline.

Molecular Properties

Compound Name3,8-dimethoxypyridazino[1,2-a]cinnoline
PubChem CID22133731
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3,8-dimethoxypyridazino[1,2-a]cinnoline
SMILESCOC1=CN2C=Cc3c(OC)cccc3N2C=C1
InChIInChI=1S/C14H14N2O2/c1-17-11-6-9-16-13-4-3-5-14(18-2)12(13)7-8-15(16)10-11/h3-10H,1-2H3
InChIKeyACZSRRNSYLVRKY-UHFFFAOYSA-N
XLogP2.72
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethoxypyridazino[1,2-a]cinnoline?
The IUPAC name of 3,8-dimethoxypyridazino[1,2-a]cinnoline (CID 22133731) is 3,8-dimethoxypyridazino[1,2-a]cinnoline.
What is the SMILES notation for 3,8-dimethoxypyridazino[1,2-a]cinnoline?
The canonical SMILES for 3,8-dimethoxypyridazino[1,2-a]cinnoline is COC1=CN2C=Cc3c(OC)cccc3N2C=C1.
What is the InChIKey of 3,8-dimethoxypyridazino[1,2-a]cinnoline?
The InChIKey is ACZSRRNSYLVRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-17-11-6-9-16-13-4-3-5-14(18-2)12(13)7-8-15(16)10-11/h3-10H,1-2H3.
What are the key properties of 3,8-dimethoxypyridazino[1,2-a]cinnoline?
3,8-dimethoxypyridazino[1,2-a]cinnoline has a molecular weight of 242.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethoxypyridazino[1,2-a]cinnoline is sourced from PubChem (CID 22133731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).