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

C11H10N2O4 — CID 74456136

IUPAC2-[(4-oxo-4aH-quinazolin-2-yl)methoxy]acetic acid
SMILESO=C(O)COCC1=NC(=O)C2C=CC=CC2=N1
InChIInChI=1S/C11H10N2O4/c14-10(15)6-17-5-9-12-8-4-2-1-3-7(8)11(16)13-9/h1-4,7H,5-6H2,(H,14,15)
InChIKeyZRHFYXBXPNHURB-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.21
Rot. Bonds4

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

2-[(4-oxo-4aH-quinazolin-2-yl)methoxy]acetic acid (PubChem CID 74456136) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-[(4-oxo-4aH-quinazolin-2-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(4-oxo-4aH-quinazolin-2-yl)methoxy]acetic acid
PubChem CID74456136
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name2-[(4-oxo-4aH-quinazolin-2-yl)methoxy]acetic acid
SMILESO=C(O)COCC1=NC(=O)C2C=CC=CC2=N1
InChIInChI=1S/C11H10N2O4/c14-10(15)6-17-5-9-12-8-4-2-1-3-7(8)11(16)13-9/h1-4,7H,5-6H2,(H,14,15)
InChIKeyZRHFYXBXPNHURB-UHFFFAOYSA-N
XLogP0.21
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-4aH-quinazolin-2-yl)methoxy]acetic acid?
The IUPAC name of 2-[(4-oxo-4aH-quinazolin-2-yl)methoxy]acetic acid (CID 74456136) is 2-[(4-oxo-4aH-quinazolin-2-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(4-oxo-4aH-quinazolin-2-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(4-oxo-4aH-quinazolin-2-yl)methoxy]acetic acid is O=C(O)COCC1=NC(=O)C2C=CC=CC2=N1.
What is the InChIKey of 2-[(4-oxo-4aH-quinazolin-2-yl)methoxy]acetic acid?
The InChIKey is ZRHFYXBXPNHURB-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/h1-4,7H,5-6H2,(H,14,15).
What are the key properties of 2-[(4-oxo-4aH-quinazolin-2-yl)methoxy]acetic acid?
2-[(4-oxo-4aH-quinazolin-2-yl)methoxy]acetic acid has a molecular weight of 234.21 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-4aH-quinazolin-2-yl)methoxy]acetic acid is sourced from PubChem (CID 74456136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).