4,6-dimethylquinazoline-2-carboxylic acid

C11H10N2O2 — CID 84776717

IUPAC4,6-dimethylquinazoline-2-carboxylic acid
SMILESCc1ccc2nc(C(=O)O)nc(C)c2c1
InChIInChI=1S/C11H10N2O2/c1-6-3-4-9-8(5-6)7(2)12-10(13-9)11(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyHMOUKGYZTYSPNL-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.94
Rot. Bonds1

About 4,6-dimethylquinazoline-2-carboxylic acid

4,6-dimethylquinazoline-2-carboxylic acid (PubChem CID 84776717) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4,6-dimethylquinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethylquinazoline-2-carboxylic acid
PubChem CID84776717
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4,6-dimethylquinazoline-2-carboxylic acid
SMILESCc1ccc2nc(C(=O)O)nc(C)c2c1
InChIInChI=1S/C11H10N2O2/c1-6-3-4-9-8(5-6)7(2)12-10(13-9)11(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyHMOUKGYZTYSPNL-UHFFFAOYSA-N
XLogP1.94
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylquinazoline-2-carboxylic acid?
The IUPAC name of 4,6-dimethylquinazoline-2-carboxylic acid (CID 84776717) is 4,6-dimethylquinazoline-2-carboxylic acid.
What is the SMILES notation for 4,6-dimethylquinazoline-2-carboxylic acid?
The canonical SMILES for 4,6-dimethylquinazoline-2-carboxylic acid is Cc1ccc2nc(C(=O)O)nc(C)c2c1.
What is the InChIKey of 4,6-dimethylquinazoline-2-carboxylic acid?
The InChIKey is HMOUKGYZTYSPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-6-3-4-9-8(5-6)7(2)12-10(13-9)11(14)15/h3-5H,1-2H3,(H,14,15).
What are the key properties of 4,6-dimethylquinazoline-2-carboxylic acid?
4,6-dimethylquinazoline-2-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylquinazoline-2-carboxylic acid is sourced from PubChem (CID 84776717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).