1-phenoxyisoquinoline

C15H11NO — CID 3806213

IUPAC1-phenoxyisoquinoline
SMILESc1ccc(Oc2nccc3ccccc23)cc1
InChIInChI=1S/C15H11NO/c1-2-7-13(8-3-1)17-15-14-9-5-4-6-12(14)10-11-16-15/h1-11H
InChIKeyNISCOKWSILJOMN-UHFFFAOYSA-N
MW221.26 g/mol
LogP4.03
Rot. Bonds2

About 1-phenoxyisoquinoline

1-phenoxyisoquinoline (PubChem CID 3806213) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-phenoxyisoquinoline.

Molecular Properties

Compound Name1-phenoxyisoquinoline
PubChem CID3806213
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name1-phenoxyisoquinoline
SMILESc1ccc(Oc2nccc3ccccc23)cc1
InChIInChI=1S/C15H11NO/c1-2-7-13(8-3-1)17-15-14-9-5-4-6-12(14)10-11-16-15/h1-11H
InChIKeyNISCOKWSILJOMN-UHFFFAOYSA-N
XLogP4.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxyisoquinoline?
The IUPAC name of 1-phenoxyisoquinoline (CID 3806213) is 1-phenoxyisoquinoline.
What is the SMILES notation for 1-phenoxyisoquinoline?
The canonical SMILES for 1-phenoxyisoquinoline is c1ccc(Oc2nccc3ccccc23)cc1.
What is the InChIKey of 1-phenoxyisoquinoline?
The InChIKey is NISCOKWSILJOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c1-2-7-13(8-3-1)17-15-14-9-5-4-6-12(14)10-11-16-15/h1-11H.
What are the key properties of 1-phenoxyisoquinoline?
1-phenoxyisoquinoline has a molecular weight of 221.26 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxyisoquinoline is sourced from PubChem (CID 3806213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).