4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid

C13H11N5O3 — CID 106400993

IUPAC4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(NCCc3ncon3)ncnc2c1
InChIInChI=1S/C13H11N5O3/c19-13(20)8-1-2-9-10(5-8)15-6-16-12(9)14-4-3-11-17-7-21-18-11/h1-2,5-7H,3-4H2,(H,19,20)(H,14,15,16)
InChIKeyBAAPUGPOCXQWBH-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.37
Rot. Bonds5

About 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid

4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid (PubChem CID 106400993) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid
PubChem CID106400993
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC Name4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(NCCc3ncon3)ncnc2c1
InChIInChI=1S/C13H11N5O3/c19-13(20)8-1-2-9-10(5-8)15-6-16-12(9)14-4-3-11-17-7-21-18-11/h1-2,5-7H,3-4H2,(H,19,20)(H,14,15,16)
InChIKeyBAAPUGPOCXQWBH-UHFFFAOYSA-N
XLogP1.37
TPSA114.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid?
The IUPAC name of 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid (CID 106400993) is 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid?
The canonical SMILES for 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid is O=C(O)c1ccc2c(NCCc3ncon3)ncnc2c1.
What is the InChIKey of 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid?
The InChIKey is BAAPUGPOCXQWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3/c19-13(20)8-1-2-9-10(5-8)15-6-16-12(9)14-4-3-11-17-7-21-18-11/h1-2,5-7H,3-4H2,(H,19,20)(H,14,15,16).
What are the key properties of 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid?
4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid has a molecular weight of 285.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid is sourced from PubChem (CID 106400993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).