4-(3-methylcyclohexyl)oxyquinoline-3-carbonitrile

C17H18N2O — CID 43669237

IUPAC4-(3-methylcyclohexyl)oxyquinoline-3-carbonitrile
SMILESCC1CCCC(Oc2c(C#N)cnc3ccccc23)C1
InChIInChI=1S/C17H18N2O/c1-12-5-4-6-14(9-12)20-17-13(10-18)11-19-16-8-3-2-7-15(16)17/h2-3,7-8,11-12,14H,4-6,9H2,1H3
InChIKeyBTACDCXIKBSLFL-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.06
Rot. Bonds2

About 4-(3-methylcyclohexyl)oxyquinoline-3-carbonitrile

4-(3-methylcyclohexyl)oxyquinoline-3-carbonitrile (PubChem CID 43669237) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)oxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)oxyquinoline-3-carbonitrile
PubChem CID43669237
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-(3-methylcyclohexyl)oxyquinoline-3-carbonitrile
SMILESCC1CCCC(Oc2c(C#N)cnc3ccccc23)C1
InChIInChI=1S/C17H18N2O/c1-12-5-4-6-14(9-12)20-17-13(10-18)11-19-16-8-3-2-7-15(16)17/h2-3,7-8,11-12,14H,4-6,9H2,1H3
InChIKeyBTACDCXIKBSLFL-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 4-(3-methylcyclohexyl)oxyquinoline-3-carbonitrile?
The IUPAC name of 4-(3-methylcyclohexyl)oxyquinoline-3-carbonitrile (CID 43669237) is 4-(3-methylcyclohexyl)oxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-(3-methylcyclohexyl)oxyquinoline-3-carbonitrile?
The canonical SMILES for 4-(3-methylcyclohexyl)oxyquinoline-3-carbonitrile is CC1CCCC(Oc2c(C#N)cnc3ccccc23)C1.
What is the InChIKey of 4-(3-methylcyclohexyl)oxyquinoline-3-carbonitrile?
The InChIKey is BTACDCXIKBSLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-5-4-6-14(9-12)20-17-13(10-18)11-19-16-8-3-2-7-15(16)17/h2-3,7-8,11-12,14H,4-6,9H2,1H3.
What are the key properties of 4-(3-methylcyclohexyl)oxyquinoline-3-carbonitrile?
4-(3-methylcyclohexyl)oxyquinoline-3-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 4-(3-methylcyclohexyl)oxyquinoline-3-carbonitrile is sourced from PubChem (CID 43669237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).