bis[(E)-pent-1-enyl]-quinolin-8-yloxyborane

C19H24BNO — CID 145152274

IUPACbis[(E)-pent-1-enyl]-quinolin-8-yloxyborane
SMILESCCC/C=C/B(/C=C/CCC)Oc1cccc2cccnc12
InChIInChI=1S/C19H24BNO/c1-3-5-7-14-20(15-8-6-4-2)22-18-13-9-11-17-12-10-16-21-19(17)18/h7-16H,3-6H2,1-2H3/b14-7+,15-8+
InChIKeyAYWUADDHIQHIBN-IROCBMIISA-N
MW293.22 g/mol
LogP5.40
Rot. Bonds8

About bis[(E)-pent-1-enyl]-quinolin-8-yloxyborane

bis[(E)-pent-1-enyl]-quinolin-8-yloxyborane (PubChem CID 145152274) has the molecular formula C19H24BNO and a molecular weight of 293.22 g/mol. Its IUPAC name is bis[(E)-pent-1-enyl]-quinolin-8-yloxyborane.

Molecular Properties

Compound Namebis[(E)-pent-1-enyl]-quinolin-8-yloxyborane
PubChem CID145152274
Molecular FormulaC19H24BNO
Molecular Weight293.22 g/mol
Exact Mass293.20
IUPAC Namebis[(E)-pent-1-enyl]-quinolin-8-yloxyborane
SMILESCCC/C=C/B(/C=C/CCC)Oc1cccc2cccnc12
InChIInChI=1S/C19H24BNO/c1-3-5-7-14-20(15-8-6-4-2)22-18-13-9-11-17-12-10-16-21-19(17)18/h7-16H,3-6H2,1-2H3/b14-7+,15-8+
InChIKeyAYWUADDHIQHIBN-IROCBMIISA-N
XLogP5.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.22
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[(E)-pent-1-enyl]-quinolin-8-yloxyborane?
The IUPAC name of bis[(E)-pent-1-enyl]-quinolin-8-yloxyborane (CID 145152274) is bis[(E)-pent-1-enyl]-quinolin-8-yloxyborane.
What is the SMILES notation for bis[(E)-pent-1-enyl]-quinolin-8-yloxyborane?
The canonical SMILES for bis[(E)-pent-1-enyl]-quinolin-8-yloxyborane is CCC/C=C/B(/C=C/CCC)Oc1cccc2cccnc12.
What is the InChIKey of bis[(E)-pent-1-enyl]-quinolin-8-yloxyborane?
The InChIKey is AYWUADDHIQHIBN-IROCBMIISA-N. The full InChI is InChI=1S/C19H24BNO/c1-3-5-7-14-20(15-8-6-4-2)22-18-13-9-11-17-12-10-16-21-19(17)18/h7-16H,3-6H2,1-2H3/b14-7+,15-8+.
What are the key properties of bis[(E)-pent-1-enyl]-quinolin-8-yloxyborane?
bis[(E)-pent-1-enyl]-quinolin-8-yloxyborane has a molecular weight of 293.22 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(E)-pent-1-enyl]-quinolin-8-yloxyborane is sourced from PubChem (CID 145152274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).