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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Related Compounds

4-(3,4-dichlorophenoxy)quinoline-3-carbonitrile
CID 63512577
4-(4-hydroxyphenoxy)quinoline-3-carbonitrile
CID 60870090
4-(3,5-difluorophenoxy)quinoline-3-carbonitrile
CID 62783932
4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile
CID 116801257
6-chloro-4-(3,4-dimethylphenoxy)-5-nitropyridine-3-carbonitrile
CID 71323109
4-(2-iodophenoxy)quinoline-3-carbonitrile
CID 43669253
4-(cyclopropylmethoxy)quinoline-3-carbonitrile
CID 43669223
2-methyl-4-quinolin-5-yloxybenzonitrile
CID 103044749
4-but-3-yn-2-yloxyquinoline-3-carbonitrile
CID 106794946
4-(4-bromo-3-methylphenoxy)quinolin-3-amine
CID 103963762
2-methyl-4-pyrimidin-2-yloxybenzonitrile
CID 70098326
4-[(6-methylcyclohex-3-en-1-yl)methoxy]quinoline-3-carbonitrile
CID 43669241

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).