2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetic acid

C11H10N2O4 — CID 135885364

IUPAC2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetic acid
SMILESO=C(O)COCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H10N2O4/c14-10(15)6-17-5-9-12-8-4-2-1-3-7(8)11(16)13-9/h1-4H,5-6H2,(H,14,15)(H,12,13,16)
InChIKeyWNOHJYFQSSYRCY-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.52
Rot. Bonds4

About 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetic acid

2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetic acid (PubChem CID 135885364) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetic acid
PubChem CID135885364
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetic acid
SMILESO=C(O)COCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H10N2O4/c14-10(15)6-17-5-9-12-8-4-2-1-3-7(8)11(16)13-9/h1-4H,5-6H2,(H,14,15)(H,12,13,16)
InChIKeyWNOHJYFQSSYRCY-UHFFFAOYSA-N
XLogP0.52
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetic acid?
The IUPAC name of 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetic acid (CID 135885364) is 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetic acid is O=C(O)COCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetic acid?
The InChIKey is WNOHJYFQSSYRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c14-10(15)6-17-5-9-12-8-4-2-1-3-7(8)11(16)13-9/h1-4H,5-6H2,(H,14,15)(H,12,13,16).
What are the key properties of 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetic acid?
2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetic acid has a molecular weight of 234.21 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetic acid is sourced from PubChem (CID 135885364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).