benzo[g]isoquinoline

C13H9N — CID 601692

IUPACbenzo[g]isoquinoline
SMILESc1ccc2cc3cnccc3cc2c1
InChIInChI=1S/C13H9N/c1-2-4-11-8-13-9-14-6-5-12(13)7-10(11)3-1/h1-9H
InChIKeyJWMUHTIFNGYNFA-UHFFFAOYSA-N
MW179.22 g/mol
LogP3.39
Rot. Bonds

About benzo[g]isoquinoline

benzo[g]isoquinoline (PubChem CID 601692) has the molecular formula C13H9N and a molecular weight of 179.22 g/mol. Its IUPAC name is benzo[g]isoquinoline.

Molecular Properties

Compound Namebenzo[g]isoquinoline
PubChem CID601692
Molecular FormulaC13H9N
Molecular Weight179.22 g/mol
Exact Mass179.07
IUPAC Namebenzo[g]isoquinoline
SMILESc1ccc2cc3cnccc3cc2c1
InChIInChI=1S/C13H9N/c1-2-4-11-8-13-9-14-6-5-12(13)7-10(11)3-1/h1-9H
InChIKeyJWMUHTIFNGYNFA-UHFFFAOYSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 benzo[g]isoquinoline?
The IUPAC name of benzo[g]isoquinoline (CID 601692) is benzo[g]isoquinoline.
What is the SMILES notation for benzo[g]isoquinoline?
The canonical SMILES for benzo[g]isoquinoline is c1ccc2cc3cnccc3cc2c1.
What is the InChIKey of benzo[g]isoquinoline?
The InChIKey is JWMUHTIFNGYNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N/c1-2-4-11-8-13-9-14-6-5-12(13)7-10(11)3-1/h1-9H.
What are the key properties of benzo[g]isoquinoline?
benzo[g]isoquinoline has a molecular weight of 179.22 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[g]isoquinoline is sourced from PubChem (CID 601692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).