bis(4-methoxyphenyl)-(2-methylquinolin-8-yl)oxyborane

C24H22BNO3 — CID 10134543

IUPACbis(4-methoxyphenyl)-(2-methylquinolin-8-yl)oxyborane
SMILESCOc1ccc(B(Oc2cccc3ccc(C)nc23)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H22BNO3/c1-17-7-8-18-5-4-6-23(24(18)26-17)29-25(19-9-13-21(27-2)14-10-19)20-11-15-22(28-3)16-12-20/h4-16H,1-3H3
InChIKeyYOQUHFIOHOIOCN-UHFFFAOYSA-N
MW383.26 g/mol
LogP3.75
Rot. Bonds6

About bis(4-methoxyphenyl)-(2-methylquinolin-8-yl)oxyborane

bis(4-methoxyphenyl)-(2-methylquinolin-8-yl)oxyborane (PubChem CID 10134543) has the molecular formula C24H22BNO3 and a molecular weight of 383.26 g/mol. Its IUPAC name is bis(4-methoxyphenyl)-(2-methylquinolin-8-yl)oxyborane.

Molecular Properties

Compound Namebis(4-methoxyphenyl)-(2-methylquinolin-8-yl)oxyborane
PubChem CID10134543
Molecular FormulaC24H22BNO3
Molecular Weight383.26 g/mol
Exact Mass383.17
IUPAC Namebis(4-methoxyphenyl)-(2-methylquinolin-8-yl)oxyborane
SMILESCOc1ccc(B(Oc2cccc3ccc(C)nc23)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H22BNO3/c1-17-7-8-18-5-4-6-23(24(18)26-17)29-25(19-9-13-21(27-2)14-10-19)20-11-15-22(28-3)16-12-20/h4-16H,1-3H3
InChIKeyYOQUHFIOHOIOCN-UHFFFAOYSA-N
XLogP3.75
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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(4-methoxyphenyl)-(2-methylquinolin-8-yl)oxyborane?
The IUPAC name of bis(4-methoxyphenyl)-(2-methylquinolin-8-yl)oxyborane (CID 10134543) is bis(4-methoxyphenyl)-(2-methylquinolin-8-yl)oxyborane.
What is the SMILES notation for bis(4-methoxyphenyl)-(2-methylquinolin-8-yl)oxyborane?
The canonical SMILES for bis(4-methoxyphenyl)-(2-methylquinolin-8-yl)oxyborane is COc1ccc(B(Oc2cccc3ccc(C)nc23)c2ccc(OC)cc2)cc1.
What is the InChIKey of bis(4-methoxyphenyl)-(2-methylquinolin-8-yl)oxyborane?
The InChIKey is YOQUHFIOHOIOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BNO3/c1-17-7-8-18-5-4-6-23(24(18)26-17)29-25(19-9-13-21(27-2)14-10-19)20-11-15-22(28-3)16-12-20/h4-16H,1-3H3.
What are the key properties of bis(4-methoxyphenyl)-(2-methylquinolin-8-yl)oxyborane?
bis(4-methoxyphenyl)-(2-methylquinolin-8-yl)oxyborane has a molecular weight of 383.26 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxyphenyl)-(2-methylquinolin-8-yl)oxyborane is sourced from PubChem (CID 10134543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).