3-benzyl-7,8-dimethoxy-1-methylpyrazolo[5,4-c]cinnoline

C19H18N4O2 — CID 16584874

IUPAC3-benzyl-7,8-dimethoxy-1-methylpyrazolo[5,4-c]cinnoline
SMILESCOc1cc2nnc3c(c(C)nn3Cc3ccccc3)c2cc1OC
InChIInChI=1S/C19H18N4O2/c1-12-18-14-9-16(24-2)17(25-3)10-15(14)20-21-19(18)23(22-12)11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
InChIKeyWHXIYNOTWUHLCR-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.35
Rot. Bonds4

About 3-benzyl-7,8-dimethoxy-1-methylpyrazolo[5,4-c]cinnoline

3-benzyl-7,8-dimethoxy-1-methylpyrazolo[5,4-c]cinnoline (PubChem CID 16584874) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-benzyl-7,8-dimethoxy-1-methylpyrazolo[5,4-c]cinnoline.

Molecular Properties

Compound Name3-benzyl-7,8-dimethoxy-1-methylpyrazolo[5,4-c]cinnoline
PubChem CID16584874
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3-benzyl-7,8-dimethoxy-1-methylpyrazolo[5,4-c]cinnoline
SMILESCOc1cc2nnc3c(c(C)nn3Cc3ccccc3)c2cc1OC
InChIInChI=1S/C19H18N4O2/c1-12-18-14-9-16(24-2)17(25-3)10-15(14)20-21-19(18)23(22-12)11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
InChIKeyWHXIYNOTWUHLCR-UHFFFAOYSA-N
XLogP3.35
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7,8-dimethoxy-1-methylpyrazolo[5,4-c]cinnoline?
The IUPAC name of 3-benzyl-7,8-dimethoxy-1-methylpyrazolo[5,4-c]cinnoline (CID 16584874) is 3-benzyl-7,8-dimethoxy-1-methylpyrazolo[5,4-c]cinnoline.
What is the SMILES notation for 3-benzyl-7,8-dimethoxy-1-methylpyrazolo[5,4-c]cinnoline?
The canonical SMILES for 3-benzyl-7,8-dimethoxy-1-methylpyrazolo[5,4-c]cinnoline is COc1cc2nnc3c(c(C)nn3Cc3ccccc3)c2cc1OC.
What is the InChIKey of 3-benzyl-7,8-dimethoxy-1-methylpyrazolo[5,4-c]cinnoline?
The InChIKey is WHXIYNOTWUHLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12-18-14-9-16(24-2)17(25-3)10-15(14)20-21-19(18)23(22-12)11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3.
What are the key properties of 3-benzyl-7,8-dimethoxy-1-methylpyrazolo[5,4-c]cinnoline?
3-benzyl-7,8-dimethoxy-1-methylpyrazolo[5,4-c]cinnoline has a molecular weight of 334.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7,8-dimethoxy-1-methylpyrazolo[5,4-c]cinnoline is sourced from PubChem (CID 16584874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).