2-(7-fluoro-2-oxo-3H-quinazolin-4-yl)acetic acid

C10H7FN2O3 — CID 105478812

IUPAC2-(7-fluoro-2-oxo-3H-quinazolin-4-yl)acetic acid
SMILESO=C(O)Cc1[nH]c(=O)nc2cc(F)ccc12
InChIInChI=1S/C10H7FN2O3/c11-5-1-2-6-7(3-5)12-10(16)13-8(6)4-9(14)15/h1-3H,4H2,(H,14,15)(H,12,13,16)
InChIKeyOTXKKNVMXIVJOS-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.69
Rot. Bonds2

About 2-(7-fluoro-2-oxo-3H-quinazolin-4-yl)acetic acid

2-(7-fluoro-2-oxo-3H-quinazolin-4-yl)acetic acid (PubChem CID 105478812) has the molecular formula C10H7FN2O3 and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-(7-fluoro-2-oxo-3H-quinazolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(7-fluoro-2-oxo-3H-quinazolin-4-yl)acetic acid
PubChem CID105478812
Molecular FormulaC10H7FN2O3
Molecular Weight222.17 g/mol
Exact Mass222.04
IUPAC Name2-(7-fluoro-2-oxo-3H-quinazolin-4-yl)acetic acid
SMILESO=C(O)Cc1[nH]c(=O)nc2cc(F)ccc12
InChIInChI=1S/C10H7FN2O3/c11-5-1-2-6-7(3-5)12-10(16)13-8(6)4-9(14)15/h1-3H,4H2,(H,14,15)(H,12,13,16)
InChIKeyOTXKKNVMXIVJOS-UHFFFAOYSA-N
XLogP0.69
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2-oxo-3H-quinazolin-4-yl)acetic acid?
The IUPAC name of 2-(7-fluoro-2-oxo-3H-quinazolin-4-yl)acetic acid (CID 105478812) is 2-(7-fluoro-2-oxo-3H-quinazolin-4-yl)acetic acid.
What is the SMILES notation for 2-(7-fluoro-2-oxo-3H-quinazolin-4-yl)acetic acid?
The canonical SMILES for 2-(7-fluoro-2-oxo-3H-quinazolin-4-yl)acetic acid is O=C(O)Cc1[nH]c(=O)nc2cc(F)ccc12.
What is the InChIKey of 2-(7-fluoro-2-oxo-3H-quinazolin-4-yl)acetic acid?
The InChIKey is OTXKKNVMXIVJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c11-5-1-2-6-7(3-5)12-10(16)13-8(6)4-9(14)15/h1-3H,4H2,(H,14,15)(H,12,13,16).
What are the key properties of 2-(7-fluoro-2-oxo-3H-quinazolin-4-yl)acetic acid?
2-(7-fluoro-2-oxo-3H-quinazolin-4-yl)acetic acid has a molecular weight of 222.17 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2-oxo-3H-quinazolin-4-yl)acetic acid is sourced from PubChem (CID 105478812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).