2-(4-oxoquinazolin-3-yl)acetic acid

C10H8N2O3 — CID 729359

IUPAC2-(4-oxoquinazolin-3-yl)acetic acid
SMILESO=C(O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C10H8N2O3/c13-9(14)5-12-6-11-8-4-2-1-3-7(8)10(12)15/h1-4,6H,5H2,(H,13,14)
InChIKeyBBBICQPTZBHLBM-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.48
Rot. Bonds2

About 2-(4-oxoquinazolin-3-yl)acetic acid

2-(4-oxoquinazolin-3-yl)acetic acid (PubChem CID 729359) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)acetic acid
PubChem CID729359
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name2-(4-oxoquinazolin-3-yl)acetic acid
SMILESO=C(O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C10H8N2O3/c13-9(14)5-12-6-11-8-4-2-1-3-7(8)10(12)15/h1-4,6H,5H2,(H,13,14)
InChIKeyBBBICQPTZBHLBM-UHFFFAOYSA-N
XLogP0.48
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)acetic acid?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)acetic acid (CID 729359) is 2-(4-oxoquinazolin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)acetic acid?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)acetic acid is O=C(O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)acetic acid?
The InChIKey is BBBICQPTZBHLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-9(14)5-12-6-11-8-4-2-1-3-7(8)10(12)15/h1-4,6H,5H2,(H,13,14).
What are the key properties of 2-(4-oxoquinazolin-3-yl)acetic acid?
2-(4-oxoquinazolin-3-yl)acetic acid has a molecular weight of 204.19 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)acetic acid is sourced from PubChem (CID 729359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).