3H-indazolo[5,4-g]isoquinoline

C14H9N3 — CID 118510133

IUPAC3H-indazolo[5,4-g]isoquinoline
SMILESc1cc2cc3ccc4[nH]ncc4c3cc2cn1
InChIInChI=1S/C14H9N3/c1-2-14-13(8-16-17-14)12-6-11-7-15-4-3-9(11)5-10(1)12/h1-8H,(H,16,17)
InChIKeyDEPSAFPRQPUKFL-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.26
Rot. Bonds

About 3H-indazolo[5,4-g]isoquinoline

3H-indazolo[5,4-g]isoquinoline (PubChem CID 118510133) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 3H-indazolo[5,4-g]isoquinoline.

Molecular Properties

Compound Name3H-indazolo[5,4-g]isoquinoline
PubChem CID118510133
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name3H-indazolo[5,4-g]isoquinoline
SMILESc1cc2cc3ccc4[nH]ncc4c3cc2cn1
InChIInChI=1S/C14H9N3/c1-2-14-13(8-16-17-14)12-6-11-7-15-4-3-9(11)5-10(1)12/h1-8H,(H,16,17)
InChIKeyDEPSAFPRQPUKFL-UHFFFAOYSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3H-indazolo[5,4-g]isoquinoline?
The IUPAC name of 3H-indazolo[5,4-g]isoquinoline (CID 118510133) is 3H-indazolo[5,4-g]isoquinoline.
What is the SMILES notation for 3H-indazolo[5,4-g]isoquinoline?
The canonical SMILES for 3H-indazolo[5,4-g]isoquinoline is c1cc2cc3ccc4[nH]ncc4c3cc2cn1.
What is the InChIKey of 3H-indazolo[5,4-g]isoquinoline?
The InChIKey is DEPSAFPRQPUKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c1-2-14-13(8-16-17-14)12-6-11-7-15-4-3-9(11)5-10(1)12/h1-8H,(H,16,17).
What are the key properties of 3H-indazolo[5,4-g]isoquinoline?
3H-indazolo[5,4-g]isoquinoline has a molecular weight of 219.25 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-indazolo[5,4-g]isoquinoline is sourced from PubChem (CID 118510133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).