2-(4-quinoxalin-2-ylphenoxy)quinoline-4-carbonitrile

C24H14N4O — CID 1217105

IUPAC2-(4-quinoxalin-2-ylphenoxy)quinoline-4-carbonitrile
SMILESN#Cc1cc(Oc2ccc(-c3cnc4ccccc4n3)cc2)nc2ccccc12
InChIInChI=1S/C24H14N4O/c25-14-17-13-24(28-20-6-2-1-5-19(17)20)29-18-11-9-16(10-12-18)23-15-26-21-7-3-4-8-22(21)27-23/h1-13,15H
InChIKeyMDKPTUHZMQQSJD-UHFFFAOYSA-N
MW374.40 g/mol
LogP5.51
Rot. Bonds3

About 2-(4-quinoxalin-2-ylphenoxy)quinoline-4-carbonitrile

2-(4-quinoxalin-2-ylphenoxy)quinoline-4-carbonitrile (PubChem CID 1217105) has the molecular formula C24H14N4O and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(4-quinoxalin-2-ylphenoxy)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(4-quinoxalin-2-ylphenoxy)quinoline-4-carbonitrile
PubChem CID1217105
Molecular FormulaC24H14N4O
Molecular Weight374.40 g/mol
Exact Mass374.12
IUPAC Name2-(4-quinoxalin-2-ylphenoxy)quinoline-4-carbonitrile
SMILESN#Cc1cc(Oc2ccc(-c3cnc4ccccc4n3)cc2)nc2ccccc12
InChIInChI=1S/C24H14N4O/c25-14-17-13-24(28-20-6-2-1-5-19(17)20)29-18-11-9-16(10-12-18)23-15-26-21-7-3-4-8-22(21)27-23/h1-13,15H
InChIKeyMDKPTUHZMQQSJD-UHFFFAOYSA-N
XLogP5.51
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.40
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-quinoxalin-2-ylphenoxy)quinoline-4-carbonitrile?
The IUPAC name of 2-(4-quinoxalin-2-ylphenoxy)quinoline-4-carbonitrile (CID 1217105) is 2-(4-quinoxalin-2-ylphenoxy)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(4-quinoxalin-2-ylphenoxy)quinoline-4-carbonitrile?
The canonical SMILES for 2-(4-quinoxalin-2-ylphenoxy)quinoline-4-carbonitrile is N#Cc1cc(Oc2ccc(-c3cnc4ccccc4n3)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-quinoxalin-2-ylphenoxy)quinoline-4-carbonitrile?
The InChIKey is MDKPTUHZMQQSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4O/c25-14-17-13-24(28-20-6-2-1-5-19(17)20)29-18-11-9-16(10-12-18)23-15-26-21-7-3-4-8-22(21)27-23/h1-13,15H.
What are the key properties of 2-(4-quinoxalin-2-ylphenoxy)quinoline-4-carbonitrile?
2-(4-quinoxalin-2-ylphenoxy)quinoline-4-carbonitrile has a molecular weight of 374.40 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-quinoxalin-2-ylphenoxy)quinoline-4-carbonitrile is sourced from PubChem (CID 1217105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).