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

C17H13N — CID 19964382

IUPAC1H-isoquinolino[2,1-b]isoquinoline
SMILESC1=CCC2=C3C=c4ccccc4=CN3C=CC2=C1
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/h1-7,9-12H,8H2
InChIKeyRDLZSHBYBXGLNQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.19
Rot. Bonds

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

1H-isoquinolino[2,1-b]isoquinoline (PubChem CID 19964382) has the molecular formula C17H13N and a molecular weight of 231.30 g/mol. Its IUPAC name is 1H-isoquinolino[2,1-b]isoquinoline.

Molecular Properties

Compound Name1H-isoquinolino[2,1-b]isoquinoline
PubChem CID19964382
Molecular FormulaC17H13N
Molecular Weight231.30 g/mol
Exact Mass231.10
IUPAC Name1H-isoquinolino[2,1-b]isoquinoline
SMILESC1=CCC2=C3C=c4ccccc4=CN3C=CC2=C1
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/h1-7,9-12H,8H2
InChIKeyRDLZSHBYBXGLNQ-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-isoquinolino[2,1-b]isoquinoline?
The IUPAC name of 1H-isoquinolino[2,1-b]isoquinoline (CID 19964382) is 1H-isoquinolino[2,1-b]isoquinoline.
What is the SMILES notation for 1H-isoquinolino[2,1-b]isoquinoline?
The canonical SMILES for 1H-isoquinolino[2,1-b]isoquinoline is C1=CCC2=C3C=c4ccccc4=CN3C=CC2=C1.
What is the InChIKey of 1H-isoquinolino[2,1-b]isoquinoline?
The InChIKey is RDLZSHBYBXGLNQ-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/h1-7,9-12H,8H2.
What are the key properties of 1H-isoquinolino[2,1-b]isoquinoline?
1H-isoquinolino[2,1-b]isoquinoline has a molecular weight of 231.30 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-isoquinolino[2,1-b]isoquinoline is sourced from PubChem (CID 19964382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).