(2,4-diphenylquinazolin-6-yl)oxyboronic acid

C20H15BN2O3 — CID 175769307

IUPAC(2,4-diphenylquinazolin-6-yl)oxyboronic acid
SMILESOB(O)Oc1ccc2nc(-c3ccccc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C20H15BN2O3/c24-21(25)26-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)23-20(22-18)15-9-5-2-6-10-15/h1-13,24-25H
InChIKeyGGUKVDRWLIJAGT-UHFFFAOYSA-N
MW342.16 g/mol
LogP3.31
Rot. Bonds4

About (2,4-diphenylquinazolin-6-yl)oxyboronic acid

(2,4-diphenylquinazolin-6-yl)oxyboronic acid (PubChem CID 175769307) has the molecular formula C20H15BN2O3 and a molecular weight of 342.16 g/mol. Its IUPAC name is (2,4-diphenylquinazolin-6-yl)oxyboronic acid.

Molecular Properties

Compound Name(2,4-diphenylquinazolin-6-yl)oxyboronic acid
PubChem CID175769307
Molecular FormulaC20H15BN2O3
Molecular Weight342.16 g/mol
Exact Mass342.12
IUPAC Name(2,4-diphenylquinazolin-6-yl)oxyboronic acid
SMILESOB(O)Oc1ccc2nc(-c3ccccc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C20H15BN2O3/c24-21(25)26-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)23-20(22-18)15-9-5-2-6-10-15/h1-13,24-25H
InChIKeyGGUKVDRWLIJAGT-UHFFFAOYSA-N
XLogP3.31
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2,4-diphenylquinazolin-6-yl)oxyboronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate
CID 101425278
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
6-(3,5-dinaphthalen-2-ylphenyl)-2,4-diphenylquinazoline;2,4-diphenyl-6-(4-phenylnaphthalen-1-yl)quinazoline;2,4-diphenyl-6-triphenylen-2-ylquinazoline
CID 158031758
2-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline
CID 176785083
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
2-(4-methylphenyl)-6-nitro-4-phenylquinazoline
CID 102342967
6-dibenzothiophen-1-yl-2,4-diphenylquinazoline
CID 164987004
2-(3-naphthalen-2-ylphenyl)-9-[4-[4-phenyl-2-(4-phenylphenyl)quinazolin-6-yl]phenyl]-1,10-phenanthroline
CID 134167704

Frequently Asked Questions

What is the IUPAC name of (2,4-diphenylquinazolin-6-yl)oxyboronic acid?
The IUPAC name of (2,4-diphenylquinazolin-6-yl)oxyboronic acid (CID 175769307) is (2,4-diphenylquinazolin-6-yl)oxyboronic acid.
What is the SMILES notation for (2,4-diphenylquinazolin-6-yl)oxyboronic acid?
The canonical SMILES for (2,4-diphenylquinazolin-6-yl)oxyboronic acid is OB(O)Oc1ccc2nc(-c3ccccc3)nc(-c3ccccc3)c2c1.
What is the InChIKey of (2,4-diphenylquinazolin-6-yl)oxyboronic acid?
The InChIKey is GGUKVDRWLIJAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BN2O3/c24-21(25)26-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)23-20(22-18)15-9-5-2-6-10-15/h1-13,24-25H.
What are the key properties of (2,4-diphenylquinazolin-6-yl)oxyboronic acid?
(2,4-diphenylquinazolin-6-yl)oxyboronic acid has a molecular weight of 342.16 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diphenylquinazolin-6-yl)oxyboronic acid is sourced from PubChem (CID 175769307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).