2-(8-fluoroquinazolin-4-yl)acetic acid

C10H7FN2O2 — CID 105458355

IUPAC2-(8-fluoroquinazolin-4-yl)acetic acid
SMILESO=C(O)Cc1ncnc2c(F)cccc12
InChIInChI=1S/C10H7FN2O2/c11-7-3-1-2-6-8(4-9(14)15)12-5-13-10(6)7/h1-3,5H,4H2,(H,14,15)
InChIKeyVEFNVBWHJIWKQL-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.40
Rot. Bonds2

About 2-(8-fluoroquinazolin-4-yl)acetic acid

2-(8-fluoroquinazolin-4-yl)acetic acid (PubChem CID 105458355) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 2-(8-fluoroquinazolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(8-fluoroquinazolin-4-yl)acetic acid
PubChem CID105458355
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name2-(8-fluoroquinazolin-4-yl)acetic acid
SMILESO=C(O)Cc1ncnc2c(F)cccc12
InChIInChI=1S/C10H7FN2O2/c11-7-3-1-2-6-8(4-9(14)15)12-5-13-10(6)7/h1-3,5H,4H2,(H,14,15)
InChIKeyVEFNVBWHJIWKQL-UHFFFAOYSA-N
XLogP1.40
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoroquinazolin-4-yl)acetic acid?
The IUPAC name of 2-(8-fluoroquinazolin-4-yl)acetic acid (CID 105458355) is 2-(8-fluoroquinazolin-4-yl)acetic acid.
What is the SMILES notation for 2-(8-fluoroquinazolin-4-yl)acetic acid?
The canonical SMILES for 2-(8-fluoroquinazolin-4-yl)acetic acid is O=C(O)Cc1ncnc2c(F)cccc12.
What is the InChIKey of 2-(8-fluoroquinazolin-4-yl)acetic acid?
The InChIKey is VEFNVBWHJIWKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-7-3-1-2-6-8(4-9(14)15)12-5-13-10(6)7/h1-3,5H,4H2,(H,14,15).
What are the key properties of 2-(8-fluoroquinazolin-4-yl)acetic acid?
2-(8-fluoroquinazolin-4-yl)acetic acid has a molecular weight of 206.18 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoroquinazolin-4-yl)acetic acid is sourced from PubChem (CID 105458355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).