pyrido[3,2-h]quinazolin-2-ylboronic acid

C11H8BN3O2 — CID 154048315

IUPACpyrido[3,2-h]quinazolin-2-ylboronic acid
SMILESOB(O)c1ncc2ccc3cccnc3c2n1
InChIInChI=1S/C11H8BN3O2/c16-12(17)11-14-6-8-4-3-7-2-1-5-13-9(7)10(8)15-11/h1-6,16-17H
InChIKeyNTCJIIPDBHTBAI-UHFFFAOYSA-N
MW225.02 g/mol
LogP-0.14
Rot. Bonds1

About pyrido[3,2-h]quinazolin-2-ylboronic acid

pyrido[3,2-h]quinazolin-2-ylboronic acid (PubChem CID 154048315) has the molecular formula C11H8BN3O2 and a molecular weight of 225.02 g/mol. Its IUPAC name is pyrido[3,2-h]quinazolin-2-ylboronic acid.

Molecular Properties

Compound Namepyrido[3,2-h]quinazolin-2-ylboronic acid
PubChem CID154048315
Molecular FormulaC11H8BN3O2
Molecular Weight225.02 g/mol
Exact Mass225.07
IUPAC Namepyrido[3,2-h]quinazolin-2-ylboronic acid
SMILESOB(O)c1ncc2ccc3cccnc3c2n1
InChIInChI=1S/C11H8BN3O2/c16-12(17)11-14-6-8-4-3-7-2-1-5-13-9(7)10(8)15-11/h1-6,16-17H
InChIKeyNTCJIIPDBHTBAI-UHFFFAOYSA-N
XLogP-0.14
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.02
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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1,10-phenanthroline;samarium
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iridium(3+);1,10-phenanthroline
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osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
pyrido[3,2-h]quinazoline
CID 55297723
dichlorocopper;hydrogen peroxide;1,10-phenanthroline
CID 158916437
1,7-phenanthrolin-9-ylboronic acid
CID 175292482
iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127
bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate
CID 139076364

Frequently Asked Questions

What is the IUPAC name of pyrido[3,2-h]quinazolin-2-ylboronic acid?
The IUPAC name of pyrido[3,2-h]quinazolin-2-ylboronic acid (CID 154048315) is pyrido[3,2-h]quinazolin-2-ylboronic acid.
What is the SMILES notation for pyrido[3,2-h]quinazolin-2-ylboronic acid?
The canonical SMILES for pyrido[3,2-h]quinazolin-2-ylboronic acid is OB(O)c1ncc2ccc3cccnc3c2n1.
What is the InChIKey of pyrido[3,2-h]quinazolin-2-ylboronic acid?
The InChIKey is NTCJIIPDBHTBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BN3O2/c16-12(17)11-14-6-8-4-3-7-2-1-5-13-9(7)10(8)15-11/h1-6,16-17H.
What are the key properties of pyrido[3,2-h]quinazolin-2-ylboronic acid?
pyrido[3,2-h]quinazolin-2-ylboronic acid has a molecular weight of 225.02 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[3,2-h]quinazolin-2-ylboronic acid is sourced from PubChem (CID 154048315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).