bis(3-chlorophenyl)-quinolin-8-yloxyborane

C21H14BCl2NO — CID 10293017

IUPACbis(3-chlorophenyl)-quinolin-8-yloxyborane
SMILESClc1cccc(B(Oc2cccc3cccnc23)c2cccc(Cl)c2)c1
InChIInChI=1S/C21H14BCl2NO/c23-18-9-2-7-16(13-18)22(17-8-3-10-19(24)14-17)26-20-11-1-5-15-6-4-12-25-21(15)20/h1-14H
InChIKeyZNZPRUDZKMRAEZ-UHFFFAOYSA-N
MW378.07 g/mol
LogP4.73
Rot. Bonds4

About bis(3-chlorophenyl)-quinolin-8-yloxyborane

bis(3-chlorophenyl)-quinolin-8-yloxyborane (PubChem CID 10293017) has the molecular formula C21H14BCl2NO and a molecular weight of 378.07 g/mol. Its IUPAC name is bis(3-chlorophenyl)-quinolin-8-yloxyborane.

Molecular Properties

Compound Namebis(3-chlorophenyl)-quinolin-8-yloxyborane
PubChem CID10293017
Molecular FormulaC21H14BCl2NO
Molecular Weight378.07 g/mol
Exact Mass377.05
IUPAC Namebis(3-chlorophenyl)-quinolin-8-yloxyborane
SMILESClc1cccc(B(Oc2cccc3cccnc23)c2cccc(Cl)c2)c1
InChIInChI=1S/C21H14BCl2NO/c23-18-9-2-7-16(13-18)22(17-8-3-10-19(24)14-17)26-20-11-1-5-15-6-4-12-25-21(15)20/h1-14H
InChIKeyZNZPRUDZKMRAEZ-UHFFFAOYSA-N
XLogP4.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.07
LogP ≤ 54.73
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(3-chlorophenyl)-quinolin-8-yloxyborane?
The IUPAC name of bis(3-chlorophenyl)-quinolin-8-yloxyborane (CID 10293017) is bis(3-chlorophenyl)-quinolin-8-yloxyborane.
What is the SMILES notation for bis(3-chlorophenyl)-quinolin-8-yloxyborane?
The canonical SMILES for bis(3-chlorophenyl)-quinolin-8-yloxyborane is Clc1cccc(B(Oc2cccc3cccnc23)c2cccc(Cl)c2)c1.
What is the InChIKey of bis(3-chlorophenyl)-quinolin-8-yloxyborane?
The InChIKey is ZNZPRUDZKMRAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BCl2NO/c23-18-9-2-7-16(13-18)22(17-8-3-10-19(24)14-17)26-20-11-1-5-15-6-4-12-25-21(15)20/h1-14H.
What are the key properties of bis(3-chlorophenyl)-quinolin-8-yloxyborane?
bis(3-chlorophenyl)-quinolin-8-yloxyborane has a molecular weight of 378.07 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chlorophenyl)-quinolin-8-yloxyborane is sourced from PubChem (CID 10293017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).