4-(2-iodophenoxy)quinoline-3-carbonitrile

C16H9IN2O — CID 43669253

IUPAC4-(2-iodophenoxy)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1Oc1ccccc1I
InChIInChI=1S/C16H9IN2O/c17-13-6-2-4-8-15(13)20-16-11(9-18)10-19-14-7-3-1-5-12(14)16/h1-8,10H
InChIKeyQJOSVUMOONBWIG-UHFFFAOYSA-N
MW372.17 g/mol
LogP4.50
Rot. Bonds2

About 4-(2-iodophenoxy)quinoline-3-carbonitrile

4-(2-iodophenoxy)quinoline-3-carbonitrile (PubChem CID 43669253) has the molecular formula C16H9IN2O and a molecular weight of 372.17 g/mol. Its IUPAC name is 4-(2-iodophenoxy)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(2-iodophenoxy)quinoline-3-carbonitrile
PubChem CID43669253
Molecular FormulaC16H9IN2O
Molecular Weight372.17 g/mol
Exact Mass371.98
IUPAC Name4-(2-iodophenoxy)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1Oc1ccccc1I
InChIInChI=1S/C16H9IN2O/c17-13-6-2-4-8-15(13)20-16-11(9-18)10-19-14-7-3-1-5-12(14)16/h1-8,10H
InChIKeyQJOSVUMOONBWIG-UHFFFAOYSA-N
XLogP4.50
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.17
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-iodophenoxy)quinoline-3-carbonitrile?
The IUPAC name of 4-(2-iodophenoxy)quinoline-3-carbonitrile (CID 43669253) is 4-(2-iodophenoxy)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(2-iodophenoxy)quinoline-3-carbonitrile?
The canonical SMILES for 4-(2-iodophenoxy)quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1Oc1ccccc1I.
What is the InChIKey of 4-(2-iodophenoxy)quinoline-3-carbonitrile?
The InChIKey is QJOSVUMOONBWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9IN2O/c17-13-6-2-4-8-15(13)20-16-11(9-18)10-19-14-7-3-1-5-12(14)16/h1-8,10H.
What are the key properties of 4-(2-iodophenoxy)quinoline-3-carbonitrile?
4-(2-iodophenoxy)quinoline-3-carbonitrile has a molecular weight of 372.17 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodophenoxy)quinoline-3-carbonitrile is sourced from PubChem (CID 43669253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).