2-quinazolin-4-yloxyacetic acid

C10H8N2O3 — CID 3148347

IUPAC2-quinazolin-4-yloxyacetic acid
SMILESO=C(O)COc1ncnc2ccccc12
InChIInChI=1S/C10H8N2O3/c13-9(14)5-15-10-7-3-1-2-4-8(7)11-6-12-10/h1-4,6H,5H2,(H,13,14)
InChIKeyILCNFBGYXLMVEH-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.09
Rot. Bonds3

About 2-quinazolin-4-yloxyacetic acid

2-quinazolin-4-yloxyacetic acid (PubChem CID 3148347) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-quinazolin-4-yloxyacetic acid.

Molecular Properties

Compound Name2-quinazolin-4-yloxyacetic acid
PubChem CID3148347
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name2-quinazolin-4-yloxyacetic acid
SMILESO=C(O)COc1ncnc2ccccc12
InChIInChI=1S/C10H8N2O3/c13-9(14)5-15-10-7-3-1-2-4-8(7)11-6-12-10/h1-4,6H,5H2,(H,13,14)
InChIKeyILCNFBGYXLMVEH-UHFFFAOYSA-N
XLogP1.09
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-quinazolin-4-yloxyacetic acid?
The IUPAC name of 2-quinazolin-4-yloxyacetic acid (CID 3148347) is 2-quinazolin-4-yloxyacetic acid.
What is the SMILES notation for 2-quinazolin-4-yloxyacetic acid?
The canonical SMILES for 2-quinazolin-4-yloxyacetic acid is O=C(O)COc1ncnc2ccccc12.
What is the InChIKey of 2-quinazolin-4-yloxyacetic acid?
The InChIKey is ILCNFBGYXLMVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-9(14)5-15-10-7-3-1-2-4-8(7)11-6-12-10/h1-4,6H,5H2,(H,13,14).
What are the key properties of 2-quinazolin-4-yloxyacetic acid?
2-quinazolin-4-yloxyacetic acid has a molecular weight of 204.19 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinazolin-4-yloxyacetic acid is sourced from PubChem (CID 3148347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).