2-(2-oxo-1H-quinazolin-6-yl)acetic acid

C10H8N2O3 — CID 174608921

IUPAC2-(2-oxo-1H-quinazolin-6-yl)acetic acid
SMILESO=C(O)Cc1ccc2[nH]c(=O)ncc2c1
InChIInChI=1S/C10H8N2O3/c13-9(14)4-6-1-2-8-7(3-6)5-11-10(15)12-8/h1-3,5H,4H2,(H,13,14)(H,11,12,15)
InChIKeyLBLIWFMRGYWHMM-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.55
Rot. Bonds2

About 2-(2-oxo-1H-quinazolin-6-yl)acetic acid

2-(2-oxo-1H-quinazolin-6-yl)acetic acid (PubChem CID 174608921) has the molecular formula C10H8N2O3 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-(2-oxo-1H-quinazolin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-1H-quinazolin-6-yl)acetic acid
PubChem CID174608921
Molecular FormulaC10H8N2O3
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC Name2-(2-oxo-1H-quinazolin-6-yl)acetic acid
SMILESO=C(O)Cc1ccc2[nH]c(=O)ncc2c1
InChIInChI=1S/C10H8N2O3/c13-9(14)4-6-1-2-8-7(3-6)5-11-10(15)12-8/h1-3,5H,4H2,(H,13,14)(H,11,12,15)
InChIKeyLBLIWFMRGYWHMM-UHFFFAOYSA-N
XLogP0.55
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1H-quinazolin-6-yl)acetic acid?
The IUPAC name of 2-(2-oxo-1H-quinazolin-6-yl)acetic acid (CID 174608921) is 2-(2-oxo-1H-quinazolin-6-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-1H-quinazolin-6-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-1H-quinazolin-6-yl)acetic acid is O=C(O)Cc1ccc2[nH]c(=O)ncc2c1.
What is the InChIKey of 2-(2-oxo-1H-quinazolin-6-yl)acetic acid?
The InChIKey is LBLIWFMRGYWHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-9(14)4-6-1-2-8-7(3-6)5-11-10(15)12-8/h1-3,5H,4H2,(H,13,14)(H,11,12,15).
What are the key properties of 2-(2-oxo-1H-quinazolin-6-yl)acetic acid?
2-(2-oxo-1H-quinazolin-6-yl)acetic acid has a molecular weight of 204.18 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1H-quinazolin-6-yl)acetic acid is sourced from PubChem (CID 174608921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).