2-(6-hydroxy-2-oxo-3H-quinazolin-4-yl)acetic acid

C10H8N2O4 — CID 105475154

IUPAC2-(6-hydroxy-2-oxo-3H-quinazolin-4-yl)acetic acid
SMILESO=C(O)Cc1[nH]c(=O)nc2ccc(O)cc12
InChIInChI=1S/C10H8N2O4/c13-5-1-2-7-6(3-5)8(4-9(14)15)12-10(16)11-7/h1-3,13H,4H2,(H,14,15)(H,11,12,16)
InChIKeyCELCLVKATAVWSB-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.26
Rot. Bonds2

About 2-(6-hydroxy-2-oxo-3H-quinazolin-4-yl)acetic acid

2-(6-hydroxy-2-oxo-3H-quinazolin-4-yl)acetic acid (PubChem CID 105475154) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-(6-hydroxy-2-oxo-3H-quinazolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-hydroxy-2-oxo-3H-quinazolin-4-yl)acetic acid
PubChem CID105475154
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name2-(6-hydroxy-2-oxo-3H-quinazolin-4-yl)acetic acid
SMILESO=C(O)Cc1[nH]c(=O)nc2ccc(O)cc12
InChIInChI=1S/C10H8N2O4/c13-5-1-2-7-6(3-5)8(4-9(14)15)12-10(16)11-7/h1-3,13H,4H2,(H,14,15)(H,11,12,16)
InChIKeyCELCLVKATAVWSB-UHFFFAOYSA-N
XLogP0.26
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-2-oxo-3H-quinazolin-4-yl)acetic acid?
The IUPAC name of 2-(6-hydroxy-2-oxo-3H-quinazolin-4-yl)acetic acid (CID 105475154) is 2-(6-hydroxy-2-oxo-3H-quinazolin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-hydroxy-2-oxo-3H-quinazolin-4-yl)acetic acid?
The canonical SMILES for 2-(6-hydroxy-2-oxo-3H-quinazolin-4-yl)acetic acid is O=C(O)Cc1[nH]c(=O)nc2ccc(O)cc12.
What is the InChIKey of 2-(6-hydroxy-2-oxo-3H-quinazolin-4-yl)acetic acid?
The InChIKey is CELCLVKATAVWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-5-1-2-7-6(3-5)8(4-9(14)15)12-10(16)11-7/h1-3,13H,4H2,(H,14,15)(H,11,12,16).
What are the key properties of 2-(6-hydroxy-2-oxo-3H-quinazolin-4-yl)acetic acid?
2-(6-hydroxy-2-oxo-3H-quinazolin-4-yl)acetic acid has a molecular weight of 220.18 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-2-oxo-3H-quinazolin-4-yl)acetic acid is sourced from PubChem (CID 105475154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).