4-(3,4-dimethylphenoxy)quinoline-3-carbonitrile

C18H14N2O — CID 43669207

IUPAC4-(3,4-dimethylphenoxy)quinoline-3-carbonitrile
SMILESCc1ccc(Oc2c(C#N)cnc3ccccc23)cc1C
InChIInChI=1S/C18H14N2O/c1-12-7-8-15(9-13(12)2)21-18-14(10-19)11-20-17-6-4-3-5-16(17)18/h3-9,11H,1-2H3
InChIKeyKXGXIQLDBKGKHP-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.52
Rot. Bonds2

About 4-(3,4-dimethylphenoxy)quinoline-3-carbonitrile

4-(3,4-dimethylphenoxy)quinoline-3-carbonitrile (PubChem CID 43669207) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(3,4-dimethylphenoxy)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(3,4-dimethylphenoxy)quinoline-3-carbonitrile
PubChem CID43669207
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name4-(3,4-dimethylphenoxy)quinoline-3-carbonitrile
SMILESCc1ccc(Oc2c(C#N)cnc3ccccc23)cc1C
InChIInChI=1S/C18H14N2O/c1-12-7-8-15(9-13(12)2)21-18-14(10-19)11-20-17-6-4-3-5-16(17)18/h3-9,11H,1-2H3
InChIKeyKXGXIQLDBKGKHP-UHFFFAOYSA-N
XLogP4.52
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenoxy)quinoline-3-carbonitrile?
The IUPAC name of 4-(3,4-dimethylphenoxy)quinoline-3-carbonitrile (CID 43669207) is 4-(3,4-dimethylphenoxy)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(3,4-dimethylphenoxy)quinoline-3-carbonitrile?
The canonical SMILES for 4-(3,4-dimethylphenoxy)quinoline-3-carbonitrile is Cc1ccc(Oc2c(C#N)cnc3ccccc23)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenoxy)quinoline-3-carbonitrile?
The InChIKey is KXGXIQLDBKGKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-12-7-8-15(9-13(12)2)21-18-14(10-19)11-20-17-6-4-3-5-16(17)18/h3-9,11H,1-2H3.
What are the key properties of 4-(3,4-dimethylphenoxy)quinoline-3-carbonitrile?
4-(3,4-dimethylphenoxy)quinoline-3-carbonitrile has a molecular weight of 274.32 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenoxy)quinoline-3-carbonitrile is sourced from PubChem (CID 43669207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).