4-[2-(2-methylpropoxy)ethoxy]quinoline-3-carbonitrile

C16H18N2O2 — CID 106447581

IUPAC4-[2-(2-methylpropoxy)ethoxy]quinoline-3-carbonitrile
SMILESCC(C)COCCOc1c(C#N)cnc2ccccc12
InChIInChI=1S/C16H18N2O2/c1-12(2)11-19-7-8-20-16-13(9-17)10-18-15-6-4-3-5-14(15)16/h3-6,10,12H,7-8,11H2,1-2H3
InChIKeyBDQBKCAOZIHEFO-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.16
Rot. Bonds6

About 4-[2-(2-methylpropoxy)ethoxy]quinoline-3-carbonitrile

4-[2-(2-methylpropoxy)ethoxy]quinoline-3-carbonitrile (PubChem CID 106447581) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[2-(2-methylpropoxy)ethoxy]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(2-methylpropoxy)ethoxy]quinoline-3-carbonitrile
PubChem CID106447581
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-[2-(2-methylpropoxy)ethoxy]quinoline-3-carbonitrile
SMILESCC(C)COCCOc1c(C#N)cnc2ccccc12
InChIInChI=1S/C16H18N2O2/c1-12(2)11-19-7-8-20-16-13(9-17)10-18-15-6-4-3-5-14(15)16/h3-6,10,12H,7-8,11H2,1-2H3
InChIKeyBDQBKCAOZIHEFO-UHFFFAOYSA-N
XLogP3.16
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile
CID 61103055
4-but-3-yn-2-yloxyquinoline-3-carbonitrile
CID 106794946
4-(cyclopropylmethoxy)quinoline-3-carbonitrile
CID 43669223
4-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile
CID 61103455
4-[(6-methylcyclohex-3-en-1-yl)methoxy]quinoline-3-carbonitrile
CID 43669241
4-[2-(2-methylpropoxy)ethoxy]cinnoline-3-carboxylic acid
CID 106447126
4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile
CID 116801257
2-(2-methylpropoxy)quinoline-4-carbonitrile
CID 57354646
[2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine
CID 106446681
4-(4-hydroxyphenoxy)quinoline-3-carbonitrile
CID 60870090
4-(4-methylpentylamino)quinoline-3-carbonitrile
CID 61038828
4-(methylamino)quinoline-3-carbonitrile
CID 43668892

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpropoxy)ethoxy]quinoline-3-carbonitrile?
The IUPAC name of 4-[2-(2-methylpropoxy)ethoxy]quinoline-3-carbonitrile (CID 106447581) is 4-[2-(2-methylpropoxy)ethoxy]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[2-(2-methylpropoxy)ethoxy]quinoline-3-carbonitrile?
The canonical SMILES for 4-[2-(2-methylpropoxy)ethoxy]quinoline-3-carbonitrile is CC(C)COCCOc1c(C#N)cnc2ccccc12.
What is the InChIKey of 4-[2-(2-methylpropoxy)ethoxy]quinoline-3-carbonitrile?
The InChIKey is BDQBKCAOZIHEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12(2)11-19-7-8-20-16-13(9-17)10-18-15-6-4-3-5-14(15)16/h3-6,10,12H,7-8,11H2,1-2H3.
What are the key properties of 4-[2-(2-methylpropoxy)ethoxy]quinoline-3-carbonitrile?
4-[2-(2-methylpropoxy)ethoxy]quinoline-3-carbonitrile has a molecular weight of 270.33 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpropoxy)ethoxy]quinoline-3-carbonitrile is sourced from PubChem (CID 106447581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).