2-quinazolin-4-yloxybutanoic acid

C12H12N2O3 — CID 59286375

IUPAC2-quinazolin-4-yloxybutanoic acid
SMILESCCC(Oc1ncnc2ccccc12)C(=O)O
InChIInChI=1S/C12H12N2O3/c1-2-10(12(15)16)17-11-8-5-3-4-6-9(8)13-7-14-11/h3-7,10H,2H2,1H3,(H,15,16)
InChIKeyQQOSKLBNRPVEOH-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.87
Rot. Bonds4

About 2-quinazolin-4-yloxybutanoic acid

2-quinazolin-4-yloxybutanoic acid (PubChem CID 59286375) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-quinazolin-4-yloxybutanoic acid.

Molecular Properties

Compound Name2-quinazolin-4-yloxybutanoic acid
PubChem CID59286375
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-quinazolin-4-yloxybutanoic acid
SMILESCCC(Oc1ncnc2ccccc12)C(=O)O
InChIInChI=1S/C12H12N2O3/c1-2-10(12(15)16)17-11-8-5-3-4-6-9(8)13-7-14-11/h3-7,10H,2H2,1H3,(H,15,16)
InChIKeyQQOSKLBNRPVEOH-UHFFFAOYSA-N
XLogP1.87
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-quinazolin-4-yloxybutanoic acid?
The IUPAC name of 2-quinazolin-4-yloxybutanoic acid (CID 59286375) is 2-quinazolin-4-yloxybutanoic acid.
What is the SMILES notation for 2-quinazolin-4-yloxybutanoic acid?
The canonical SMILES for 2-quinazolin-4-yloxybutanoic acid is CCC(Oc1ncnc2ccccc12)C(=O)O.
What is the InChIKey of 2-quinazolin-4-yloxybutanoic acid?
The InChIKey is QQOSKLBNRPVEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-10(12(15)16)17-11-8-5-3-4-6-9(8)13-7-14-11/h3-7,10H,2H2,1H3,(H,15,16).
What are the key properties of 2-quinazolin-4-yloxybutanoic acid?
2-quinazolin-4-yloxybutanoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinazolin-4-yloxybutanoic acid is sourced from PubChem (CID 59286375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).