(4-morpholin-4-ylquinazolin-6-yl)boronic acid

C12H14BN3O3 — CID 141302023

IUPAC(4-morpholin-4-ylquinazolin-6-yl)boronic acid
SMILESOB(O)c1ccc2ncnc(N3CCOCC3)c2c1
InChIInChI=1S/C12H14BN3O3/c17-13(18)9-1-2-11-10(7-9)12(15-8-14-11)16-3-5-19-6-4-16/h1-2,7-8,17-18H,3-6H2
InChIKeyGPUFUYAGODEDAO-UHFFFAOYSA-N
MW259.07 g/mol
LogP-0.85
Rot. Bonds2

About (4-morpholin-4-ylquinazolin-6-yl)boronic acid

(4-morpholin-4-ylquinazolin-6-yl)boronic acid (PubChem CID 141302023) has the molecular formula C12H14BN3O3 and a molecular weight of 259.07 g/mol. Its IUPAC name is (4-morpholin-4-ylquinazolin-6-yl)boronic acid.

Molecular Properties

Compound Name(4-morpholin-4-ylquinazolin-6-yl)boronic acid
PubChem CID141302023
Molecular FormulaC12H14BN3O3
Molecular Weight259.07 g/mol
Exact Mass259.11
IUPAC Name(4-morpholin-4-ylquinazolin-6-yl)boronic acid
SMILESOB(O)c1ccc2ncnc(N3CCOCC3)c2c1
InChIInChI=1S/C12H14BN3O3/c17-13(18)9-1-2-11-10(7-9)12(15-8-14-11)16-3-5-19-6-4-16/h1-2,7-8,17-18H,3-6H2
InChIKeyGPUFUYAGODEDAO-UHFFFAOYSA-N
XLogP-0.85
TPSA78.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.07
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-morpholin-4-ylquinazoline-7-carboxylic acid
CID 1414121
1-[5-(4-morpholin-4-ylquinazolin-6-yl)furan-2-yl]ethanol
CID 46916200
N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842372
N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842358
4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine
CID 71407698
7-chloro-4-morpholin-4-ylquinazolin-8-ol
CID 10400664
4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 66617926
N-[5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]propane-2-sulfinamide
CID 59406583
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
4-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-yl]morpholine
CID 90095353
4,6-dimorpholin-4-ylpyrimidin-5-amine
CID 19137612
N-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842370

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylquinazolin-6-yl)boronic acid?
The IUPAC name of (4-morpholin-4-ylquinazolin-6-yl)boronic acid (CID 141302023) is (4-morpholin-4-ylquinazolin-6-yl)boronic acid.
What is the SMILES notation for (4-morpholin-4-ylquinazolin-6-yl)boronic acid?
The canonical SMILES for (4-morpholin-4-ylquinazolin-6-yl)boronic acid is OB(O)c1ccc2ncnc(N3CCOCC3)c2c1.
What is the InChIKey of (4-morpholin-4-ylquinazolin-6-yl)boronic acid?
The InChIKey is GPUFUYAGODEDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BN3O3/c17-13(18)9-1-2-11-10(7-9)12(15-8-14-11)16-3-5-19-6-4-16/h1-2,7-8,17-18H,3-6H2.
What are the key properties of (4-morpholin-4-ylquinazolin-6-yl)boronic acid?
(4-morpholin-4-ylquinazolin-6-yl)boronic acid has a molecular weight of 259.07 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylquinazolin-6-yl)boronic acid is sourced from PubChem (CID 141302023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).