6H-isoquinolino[2,1-b]isoquinoline

C17H13N — CID 87081165

IUPAC6H-isoquinolino[2,1-b]isoquinoline
SMILESC1=c2ccccc2=CN2CC=c3ccccc3=C12
InChIInChI=1S/C17H13N/c1-2-7-15-12-18-10-9-13-5-3-4-8-16(13)17(18)11-14(15)6-1/h1-9,11-12H,10H2
InChIKeyOMZKZBSDIRJVDB-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.12
Rot. Bonds

About 6H-isoquinolino[2,1-b]isoquinoline

6H-isoquinolino[2,1-b]isoquinoline (PubChem CID 87081165) has the molecular formula C17H13N and a molecular weight of 231.30 g/mol. Its IUPAC name is 6H-isoquinolino[2,1-b]isoquinoline.

Molecular Properties

Compound Name6H-isoquinolino[2,1-b]isoquinoline
PubChem CID87081165
Molecular FormulaC17H13N
Molecular Weight231.30 g/mol
Exact Mass231.10
IUPAC Name6H-isoquinolino[2,1-b]isoquinoline
SMILESC1=c2ccccc2=CN2CC=c3ccccc3=C12
InChIInChI=1S/C17H13N/c1-2-7-15-12-18-10-9-13-5-3-4-8-16(13)17(18)11-14(15)6-1/h1-9,11-12H,10H2
InChIKeyOMZKZBSDIRJVDB-UHFFFAOYSA-N
XLogP0.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6H-isoquinolino[2,1-b]isoquinoline?
The IUPAC name of 6H-isoquinolino[2,1-b]isoquinoline (CID 87081165) is 6H-isoquinolino[2,1-b]isoquinoline.
What is the SMILES notation for 6H-isoquinolino[2,1-b]isoquinoline?
The canonical SMILES for 6H-isoquinolino[2,1-b]isoquinoline is C1=c2ccccc2=CN2CC=c3ccccc3=C12.
What is the InChIKey of 6H-isoquinolino[2,1-b]isoquinoline?
The InChIKey is OMZKZBSDIRJVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N/c1-2-7-15-12-18-10-9-13-5-3-4-8-16(13)17(18)11-14(15)6-1/h1-9,11-12H,10H2.
What are the key properties of 6H-isoquinolino[2,1-b]isoquinoline?
6H-isoquinolino[2,1-b]isoquinoline has a molecular weight of 231.30 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-isoquinolino[2,1-b]isoquinoline is sourced from PubChem (CID 87081165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).