4-isoquinolin-4-ylisoquinoline

C18H12N2 — CID 817553

IUPAC4-isoquinolin-4-ylisoquinoline
SMILESc1ccc2c(-c3cncc4ccccc34)cncc2c1
InChIInChI=1S/C18H12N2/c1-3-7-15-13(5-1)9-19-11-17(15)18-12-20-10-14-6-2-4-8-16(14)18/h1-12H
InChIKeyDHSKOHRCOPTBLB-UHFFFAOYSA-N
MW256.31 g/mol
LogP4.45
Rot. Bonds1

About 4-isoquinolin-4-ylisoquinoline

4-isoquinolin-4-ylisoquinoline (PubChem CID 817553) has the molecular formula C18H12N2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-isoquinolin-4-ylisoquinoline.

Molecular Properties

Compound Name4-isoquinolin-4-ylisoquinoline
PubChem CID817553
Molecular FormulaC18H12N2
Molecular Weight256.31 g/mol
Exact Mass256.10
IUPAC Name4-isoquinolin-4-ylisoquinoline
SMILESc1ccc2c(-c3cncc4ccccc34)cncc2c1
InChIInChI=1S/C18H12N2/c1-3-7-15-13(5-1)9-19-11-17(15)18-12-20-10-14-6-2-4-8-16(14)18/h1-12H
InChIKeyDHSKOHRCOPTBLB-UHFFFAOYSA-N
XLogP4.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-isoquinolin-4-ylisoquinoline?
The IUPAC name of 4-isoquinolin-4-ylisoquinoline (CID 817553) is 4-isoquinolin-4-ylisoquinoline.
What is the SMILES notation for 4-isoquinolin-4-ylisoquinoline?
The canonical SMILES for 4-isoquinolin-4-ylisoquinoline is c1ccc2c(-c3cncc4ccccc34)cncc2c1.
What is the InChIKey of 4-isoquinolin-4-ylisoquinoline?
The InChIKey is DHSKOHRCOPTBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2/c1-3-7-15-13(5-1)9-19-11-17(15)18-12-20-10-14-6-2-4-8-16(14)18/h1-12H.
What are the key properties of 4-isoquinolin-4-ylisoquinoline?
4-isoquinolin-4-ylisoquinoline has a molecular weight of 256.31 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isoquinolin-4-ylisoquinoline is sourced from PubChem (CID 817553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).