3-phenoxyquinoline

C15H11NO — CID 53320496

IUPAC3-phenoxyquinoline
SMILESc1ccc(Oc2cnc3ccccc3c2)cc1
InChIInChI=1S/C15H11NO/c1-2-7-13(8-3-1)17-14-10-12-6-4-5-9-15(12)16-11-14/h1-11H
InChIKeyKGRHNNVCCNXTIC-UHFFFAOYSA-N
MW221.26 g/mol
LogP4.03
Rot. Bonds2

About 3-phenoxyquinoline

3-phenoxyquinoline (PubChem CID 53320496) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-phenoxyquinoline.

Molecular Properties

Compound Name3-phenoxyquinoline
PubChem CID53320496
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name3-phenoxyquinoline
SMILESc1ccc(Oc2cnc3ccccc3c2)cc1
InChIInChI=1S/C15H11NO/c1-2-7-13(8-3-1)17-14-10-12-6-4-5-9-15(12)16-11-14/h1-11H
InChIKeyKGRHNNVCCNXTIC-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 3-phenoxyquinoline?
The IUPAC name of 3-phenoxyquinoline (CID 53320496) is 3-phenoxyquinoline.
What is the SMILES notation for 3-phenoxyquinoline?
The canonical SMILES for 3-phenoxyquinoline is c1ccc(Oc2cnc3ccccc3c2)cc1.
What is the InChIKey of 3-phenoxyquinoline?
The InChIKey is KGRHNNVCCNXTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c1-2-7-13(8-3-1)17-14-10-12-6-4-5-9-15(12)16-11-14/h1-11H.
What are the key properties of 3-phenoxyquinoline?
3-phenoxyquinoline 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 3-phenoxyquinoline is sourced from PubChem (CID 53320496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).