(2,4-dimethylquinazolin-6-yl)boronic acid

C10H11BN2O2 — CID 151758909

IUPAC(2,4-dimethylquinazolin-6-yl)boronic acid
SMILESCc1nc(C)c2cc(B(O)O)ccc2n1
InChIInChI=1S/C10H11BN2O2/c1-6-9-5-8(11(14)15)3-4-10(9)13-7(2)12-6/h3-5,14-15H,1-2H3
InChIKeyRQDGRSNPEBOYJZ-UHFFFAOYSA-N
MW202.02 g/mol
LogP-0.07
Rot. Bonds1

About (2,4-dimethylquinazolin-6-yl)boronic acid

(2,4-dimethylquinazolin-6-yl)boronic acid (PubChem CID 151758909) has the molecular formula C10H11BN2O2 and a molecular weight of 202.02 g/mol. Its IUPAC name is (2,4-dimethylquinazolin-6-yl)boronic acid.

Molecular Properties

Compound Name(2,4-dimethylquinazolin-6-yl)boronic acid
PubChem CID151758909
Molecular FormulaC10H11BN2O2
Molecular Weight202.02 g/mol
Exact Mass202.09
IUPAC Name(2,4-dimethylquinazolin-6-yl)boronic acid
SMILESCc1nc(C)c2cc(B(O)O)ccc2n1
InChIInChI=1S/C10H11BN2O2/c1-6-9-5-8(11(14)15)3-4-10(9)13-7(2)12-6/h3-5,14-15H,1-2H3
InChIKeyRQDGRSNPEBOYJZ-UHFFFAOYSA-N
XLogP-0.07
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.02
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-methylquinazoline-2-carboxylic acid
CID 84788769
(3-methyl-1,2-benzoxazol-5-yl)boronic acid
CID 90733121
(2-methyl-3H-benzimidazol-5-yl)boronic acid
CID 119084623
(2-methylquinolin-7-yl)boronic acid
CID 58343921
2,4-dimethylquinazoline-7-carboxylic acid
CID 143096640
4,6-dimethylquinazoline-2-carboxylic acid
CID 84776717
(6-methylnaphthalen-2-yl)boronic acid
CID 55276688
2-tert-butyl-6-chloro-4-methylquinazoline
CID 58810669
6,7-dimethoxy-2,4-dimethylquinazoline;ethane
CID 163274874
bis(2,4-dimethylquinazoline);bis(2,4-dimethylquinoline);ethane
CID 163451180
methyl 6-methoxy-2,4-dimethylquinazoline-7-carboxylate
CID 143096714
(8-boronodibenzothiophen-2-yl)boronic acid
CID 2792628

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylquinazolin-6-yl)boronic acid?
The IUPAC name of (2,4-dimethylquinazolin-6-yl)boronic acid (CID 151758909) is (2,4-dimethylquinazolin-6-yl)boronic acid.
What is the SMILES notation for (2,4-dimethylquinazolin-6-yl)boronic acid?
The canonical SMILES for (2,4-dimethylquinazolin-6-yl)boronic acid is Cc1nc(C)c2cc(B(O)O)ccc2n1.
What is the InChIKey of (2,4-dimethylquinazolin-6-yl)boronic acid?
The InChIKey is RQDGRSNPEBOYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BN2O2/c1-6-9-5-8(11(14)15)3-4-10(9)13-7(2)12-6/h3-5,14-15H,1-2H3.
What are the key properties of (2,4-dimethylquinazolin-6-yl)boronic acid?
(2,4-dimethylquinazolin-6-yl)boronic acid has a molecular weight of 202.02 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylquinazolin-6-yl)boronic acid is sourced from PubChem (CID 151758909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).