2-(4-methylcyclohexyl)oxyquinoline-4-carbonitrile

C17H18N2O — CID 63886439

IUPAC2-(4-methylcyclohexyl)oxyquinoline-4-carbonitrile
SMILESCC1CCC(Oc2cc(C#N)c3ccccc3n2)CC1
InChIInChI=1S/C17H18N2O/c1-12-6-8-14(9-7-12)20-17-10-13(11-18)15-4-2-3-5-16(15)19-17/h2-5,10,12,14H,6-9H2,1H3
InChIKeyIDPQYGXGGFCEHQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.06
Rot. Bonds2

About 2-(4-methylcyclohexyl)oxyquinoline-4-carbonitrile

2-(4-methylcyclohexyl)oxyquinoline-4-carbonitrile (PubChem CID 63886439) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)oxyquinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)oxyquinoline-4-carbonitrile
PubChem CID63886439
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(4-methylcyclohexyl)oxyquinoline-4-carbonitrile
SMILESCC1CCC(Oc2cc(C#N)c3ccccc3n2)CC1
InChIInChI=1S/C17H18N2O/c1-12-6-8-14(9-7-12)20-17-10-13(11-18)15-4-2-3-5-16(15)19-17/h2-5,10,12,14H,6-9H2,1H3
InChIKeyIDPQYGXGGFCEHQ-UHFFFAOYSA-N
XLogP4.06
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)oxyquinoline-4-carbonitrile?
The IUPAC name of 2-(4-methylcyclohexyl)oxyquinoline-4-carbonitrile (CID 63886439) is 2-(4-methylcyclohexyl)oxyquinoline-4-carbonitrile.
What is the SMILES notation for 2-(4-methylcyclohexyl)oxyquinoline-4-carbonitrile?
The canonical SMILES for 2-(4-methylcyclohexyl)oxyquinoline-4-carbonitrile is CC1CCC(Oc2cc(C#N)c3ccccc3n2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)oxyquinoline-4-carbonitrile?
The InChIKey is IDPQYGXGGFCEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-6-8-14(9-7-12)20-17-10-13(11-18)15-4-2-3-5-16(15)19-17/h2-5,10,12,14H,6-9H2,1H3.
What are the key properties of 2-(4-methylcyclohexyl)oxyquinoline-4-carbonitrile?
2-(4-methylcyclohexyl)oxyquinoline-4-carbonitrile has a molecular weight of 266.34 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)oxyquinoline-4-carbonitrile is sourced from PubChem (CID 63886439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).