4-[(6-methylcyclohex-3-en-1-yl)methoxy]quinoline-3-carbonitrile

C18H18N2O — CID 43669241

IUPAC4-[(6-methylcyclohex-3-en-1-yl)methoxy]quinoline-3-carbonitrile
SMILESCC1CC=CCC1COc1c(C#N)cnc2ccccc12
InChIInChI=1S/C18H18N2O/c1-13-6-2-3-7-14(13)12-21-18-15(10-19)11-20-17-9-5-4-8-16(17)18/h2-5,8-9,11,13-14H,6-7,12H2,1H3
InChIKeyCEKSQTSJDIZNNJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.09
Rot. Bonds3

About 4-[(6-methylcyclohex-3-en-1-yl)methoxy]quinoline-3-carbonitrile

4-[(6-methylcyclohex-3-en-1-yl)methoxy]quinoline-3-carbonitrile (PubChem CID 43669241) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[(6-methylcyclohex-3-en-1-yl)methoxy]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(6-methylcyclohex-3-en-1-yl)methoxy]quinoline-3-carbonitrile
PubChem CID43669241
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-[(6-methylcyclohex-3-en-1-yl)methoxy]quinoline-3-carbonitrile
SMILESCC1CC=CCC1COc1c(C#N)cnc2ccccc12
InChIInChI=1S/C18H18N2O/c1-13-6-2-3-7-14(13)12-21-18-15(10-19)11-20-17-9-5-4-8-16(17)18/h2-5,8-9,11,13-14H,6-7,12H2,1H3
InChIKeyCEKSQTSJDIZNNJ-UHFFFAOYSA-N
XLogP4.09
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopropylmethoxy)quinoline-3-carbonitrile
CID 43669223
4-(piperidin-2-ylmethoxy)quinoline-3-carbonitrile
CID 62349565
4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile
CID 61103055
4-[2-(2-methylpropoxy)ethoxy]quinoline-3-carbonitrile
CID 106447581
4-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile
CID 61103455
4-(3-methylcyclohexyl)oxyquinoline-3-carbonitrile
CID 43669237
4-but-3-yn-2-yloxyquinoline-3-carbonitrile
CID 106794946
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)quinoline-3-carbonitrile
CID 133323058
4-(3,4-dimethylphenoxy)quinoline-3-carbonitrile
CID 43669207
4-[methyl-(3-methylcyclohexyl)amino]quinoline-3-carbonitrile
CID 61446942
4-(4-hydroxyphenoxy)quinoline-3-carbonitrile
CID 60870090
4-(methylamino)quinoline-3-carbonitrile
CID 43668892

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]quinoline-3-carbonitrile?
The IUPAC name of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]quinoline-3-carbonitrile (CID 43669241) is 4-[(6-methylcyclohex-3-en-1-yl)methoxy]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[(6-methylcyclohex-3-en-1-yl)methoxy]quinoline-3-carbonitrile?
The canonical SMILES for 4-[(6-methylcyclohex-3-en-1-yl)methoxy]quinoline-3-carbonitrile is CC1CC=CCC1COc1c(C#N)cnc2ccccc12.
What is the InChIKey of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]quinoline-3-carbonitrile?
The InChIKey is CEKSQTSJDIZNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-6-2-3-7-14(13)12-21-18-15(10-19)11-20-17-9-5-4-8-16(17)18/h2-5,8-9,11,13-14H,6-7,12H2,1H3.
What are the key properties of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]quinoline-3-carbonitrile?
4-[(6-methylcyclohex-3-en-1-yl)methoxy]quinoline-3-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylcyclohex-3-en-1-yl)methoxy]quinoline-3-carbonitrile is sourced from PubChem (CID 43669241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).