(4-methoxyquinazolin-7-yl)boronic acid

C9H9BN2O3 — CID 121231085

IUPAC(4-methoxyquinazolin-7-yl)boronic acid
SMILESCOc1ncnc2cc(B(O)O)ccc12
InChIInChI=1S/C9H9BN2O3/c1-15-9-7-3-2-6(10(13)14)4-8(7)11-5-12-9/h2-5,13-14H,1H3
InChIKeyRPGKJQBPRMUXDK-UHFFFAOYSA-N
MW203.99 g/mol
LogP-0.68
Rot. Bonds2

About (4-methoxyquinazolin-7-yl)boronic acid

(4-methoxyquinazolin-7-yl)boronic acid (PubChem CID 121231085) has the molecular formula C9H9BN2O3 and a molecular weight of 203.99 g/mol. Its IUPAC name is (4-methoxyquinazolin-7-yl)boronic acid.

Molecular Properties

Compound Name(4-methoxyquinazolin-7-yl)boronic acid
PubChem CID121231085
Molecular FormulaC9H9BN2O3
Molecular Weight203.99 g/mol
Exact Mass204.07
IUPAC Name(4-methoxyquinazolin-7-yl)boronic acid
SMILESCOc1ncnc2cc(B(O)O)ccc12
InChIInChI=1S/C9H9BN2O3/c1-15-9-7-3-2-6(10(13)14)4-8(7)11-5-12-9/h2-5,13-14H,1H3
InChIKeyRPGKJQBPRMUXDK-UHFFFAOYSA-N
XLogP-0.68
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.99
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (4-methoxyquinazolin-7-yl)boronic acid?
The IUPAC name of (4-methoxyquinazolin-7-yl)boronic acid (CID 121231085) is (4-methoxyquinazolin-7-yl)boronic acid.
What is the SMILES notation for (4-methoxyquinazolin-7-yl)boronic acid?
The canonical SMILES for (4-methoxyquinazolin-7-yl)boronic acid is COc1ncnc2cc(B(O)O)ccc12.
What is the InChIKey of (4-methoxyquinazolin-7-yl)boronic acid?
The InChIKey is RPGKJQBPRMUXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BN2O3/c1-15-9-7-3-2-6(10(13)14)4-8(7)11-5-12-9/h2-5,13-14H,1H3.
What are the key properties of (4-methoxyquinazolin-7-yl)boronic acid?
(4-methoxyquinazolin-7-yl)boronic acid has a molecular weight of 203.99 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyquinazolin-7-yl)boronic acid is sourced from PubChem (CID 121231085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).