2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]acetic acid

C10H9N3O4 — CID 57331008

IUPAC2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]acetic acid
SMILESNc1nc(=O)[nH]c2cccc(OCC(=O)O)c12
InChIInChI=1S/C10H9N3O4/c11-9-8-5(12-10(16)13-9)2-1-3-6(8)17-4-7(14)15/h1-3H,4H2,(H,14,15)(H3,11,12,13,16)
InChIKeyNJXIAJQOASHPTI-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.03
Rot. Bonds3

About 2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]acetic acid

2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]acetic acid (PubChem CID 57331008) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]acetic acid
PubChem CID57331008
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]acetic acid
SMILESNc1nc(=O)[nH]c2cccc(OCC(=O)O)c12
InChIInChI=1S/C10H9N3O4/c11-9-8-5(12-10(16)13-9)2-1-3-6(8)17-4-7(14)15/h1-3H,4H2,(H,14,15)(H3,11,12,13,16)
InChIKeyNJXIAJQOASHPTI-UHFFFAOYSA-N
XLogP-0.03
TPSA118.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]acetic acid?
The IUPAC name of 2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]acetic acid (CID 57331008) is 2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]acetic acid?
The canonical SMILES for 2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]acetic acid is Nc1nc(=O)[nH]c2cccc(OCC(=O)O)c12.
What is the InChIKey of 2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]acetic acid?
The InChIKey is NJXIAJQOASHPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c11-9-8-5(12-10(16)13-9)2-1-3-6(8)17-4-7(14)15/h1-3H,4H2,(H,14,15)(H3,11,12,13,16).
What are the key properties of 2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]acetic acid?
2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]acetic acid has a molecular weight of 235.20 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]acetic acid is sourced from PubChem (CID 57331008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).