1-isoquinolin-1-yloxyisoquinoline

C18H12N2O — CID 57270575

IUPAC1-isoquinolin-1-yloxyisoquinoline
SMILESc1ccc2c(Oc3nccc4ccccc34)nccc2c1
InChIInChI=1S/C18H12N2O/c1-3-7-15-13(5-1)9-11-19-17(15)21-18-16-8-4-2-6-14(16)10-12-20-18/h1-12H
InChIKeyCIACYKMWULGUGJ-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.58
Rot. Bonds2

About 1-isoquinolin-1-yloxyisoquinoline

1-isoquinolin-1-yloxyisoquinoline (PubChem CID 57270575) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-isoquinolin-1-yloxyisoquinoline.

Molecular Properties

Compound Name1-isoquinolin-1-yloxyisoquinoline
PubChem CID57270575
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name1-isoquinolin-1-yloxyisoquinoline
SMILESc1ccc2c(Oc3nccc4ccccc34)nccc2c1
InChIInChI=1S/C18H12N2O/c1-3-7-15-13(5-1)9-11-19-17(15)21-18-16-8-4-2-6-14(16)10-12-20-18/h1-12H
InChIKeyCIACYKMWULGUGJ-UHFFFAOYSA-N
XLogP4.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-1-yloxyisoquinoline?
The IUPAC name of 1-isoquinolin-1-yloxyisoquinoline (CID 57270575) is 1-isoquinolin-1-yloxyisoquinoline.
What is the SMILES notation for 1-isoquinolin-1-yloxyisoquinoline?
The canonical SMILES for 1-isoquinolin-1-yloxyisoquinoline is c1ccc2c(Oc3nccc4ccccc34)nccc2c1.
What is the InChIKey of 1-isoquinolin-1-yloxyisoquinoline?
The InChIKey is CIACYKMWULGUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c1-3-7-15-13(5-1)9-11-19-17(15)21-18-16-8-4-2-6-14(16)10-12-20-18/h1-12H.
What are the key properties of 1-isoquinolin-1-yloxyisoquinoline?
1-isoquinolin-1-yloxyisoquinoline has a molecular weight of 272.31 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-1-yloxyisoquinoline is sourced from PubChem (CID 57270575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).