2-(4-chloro-3-methylphenoxy)quinoline-4-carbonitrile

C17H11ClN2O — CID 702771

IUPAC2-(4-chloro-3-methylphenoxy)quinoline-4-carbonitrile
SMILESCc1cc(Oc2cc(C#N)c3ccccc3n2)ccc1Cl
InChIInChI=1S/C17H11ClN2O/c1-11-8-13(6-7-15(11)18)21-17-9-12(10-19)14-4-2-3-5-16(14)20-17/h2-9H,1H3
InChIKeyDKPARQHVEOAAQC-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.86
Rot. Bonds2

About 2-(4-chloro-3-methylphenoxy)quinoline-4-carbonitrile

2-(4-chloro-3-methylphenoxy)quinoline-4-carbonitrile (PubChem CID 702771) has the molecular formula C17H11ClN2O and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)quinoline-4-carbonitrile
PubChem CID702771
Molecular FormulaC17H11ClN2O
Molecular Weight294.74 g/mol
Exact Mass294.06
IUPAC Name2-(4-chloro-3-methylphenoxy)quinoline-4-carbonitrile
SMILESCc1cc(Oc2cc(C#N)c3ccccc3n2)ccc1Cl
InChIInChI=1S/C17H11ClN2O/c1-11-8-13(6-7-15(11)18)21-17-9-12(10-19)14-4-2-3-5-16(14)20-17/h2-9H,1H3
InChIKeyDKPARQHVEOAAQC-UHFFFAOYSA-N
XLogP4.86
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)quinoline-4-carbonitrile?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)quinoline-4-carbonitrile (CID 702771) is 2-(4-chloro-3-methylphenoxy)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)quinoline-4-carbonitrile?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)quinoline-4-carbonitrile is Cc1cc(Oc2cc(C#N)c3ccccc3n2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)quinoline-4-carbonitrile?
The InChIKey is DKPARQHVEOAAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O/c1-11-8-13(6-7-15(11)18)21-17-9-12(10-19)14-4-2-3-5-16(14)20-17/h2-9H,1H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)quinoline-4-carbonitrile?
2-(4-chloro-3-methylphenoxy)quinoline-4-carbonitrile has a molecular weight of 294.74 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)quinoline-4-carbonitrile is sourced from PubChem (CID 702771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).