4-[(1E,3E)-4-cyclohexylbuta-1,3-dienyl]quinoline

C19H21N — CID 138980430

IUPAC4-[(1E,3E)-4-cyclohexylbuta-1,3-dienyl]quinoline
SMILESC(/C=C/C1CCCCC1)=C\c1ccnc2ccccc12
InChIInChI=1S/C19H21N/c1-2-8-16(9-3-1)10-4-5-11-17-14-15-20-19-13-7-6-12-18(17)19/h4-7,10-16H,1-3,8-9H2/b10-4+,11-5+
InChIKeyKBYUXQFPZYTAOY-ZVSIBQGLSA-N
MW263.38 g/mol
LogP5.38
Rot. Bonds3

About 4-[(1E,3E)-4-cyclohexylbuta-1,3-dienyl]quinoline

4-[(1E,3E)-4-cyclohexylbuta-1,3-dienyl]quinoline (PubChem CID 138980430) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[(1E,3E)-4-cyclohexylbuta-1,3-dienyl]quinoline.

Molecular Properties

Compound Name4-[(1E,3E)-4-cyclohexylbuta-1,3-dienyl]quinoline
PubChem CID138980430
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name4-[(1E,3E)-4-cyclohexylbuta-1,3-dienyl]quinoline
SMILESC(/C=C/C1CCCCC1)=C\c1ccnc2ccccc12
InChIInChI=1S/C19H21N/c1-2-8-16(9-3-1)10-4-5-11-17-14-15-20-19-13-7-6-12-18(17)19/h4-7,10-16H,1-3,8-9H2/b10-4+,11-5+
InChIKeyKBYUXQFPZYTAOY-ZVSIBQGLSA-N
XLogP5.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.38
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3E)-4-cyclohexylbuta-1,3-dienyl]quinoline?
The IUPAC name of 4-[(1E,3E)-4-cyclohexylbuta-1,3-dienyl]quinoline (CID 138980430) is 4-[(1E,3E)-4-cyclohexylbuta-1,3-dienyl]quinoline.
What is the SMILES notation for 4-[(1E,3E)-4-cyclohexylbuta-1,3-dienyl]quinoline?
The canonical SMILES for 4-[(1E,3E)-4-cyclohexylbuta-1,3-dienyl]quinoline is C(/C=C/C1CCCCC1)=C\c1ccnc2ccccc12.
What is the InChIKey of 4-[(1E,3E)-4-cyclohexylbuta-1,3-dienyl]quinoline?
The InChIKey is KBYUXQFPZYTAOY-ZVSIBQGLSA-N. The full InChI is InChI=1S/C19H21N/c1-2-8-16(9-3-1)10-4-5-11-17-14-15-20-19-13-7-6-12-18(17)19/h4-7,10-16H,1-3,8-9H2/b10-4+,11-5+.
What are the key properties of 4-[(1E,3E)-4-cyclohexylbuta-1,3-dienyl]quinoline?
4-[(1E,3E)-4-cyclohexylbuta-1,3-dienyl]quinoline has a molecular weight of 263.38 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3E)-4-cyclohexylbuta-1,3-dienyl]quinoline is sourced from PubChem (CID 138980430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).