6-fluoro-2-(4-fluorophenyl)quinazoline-4-carboxylic acid

C15H8F2N2O2 — CID 90410713

IUPAC6-fluoro-2-(4-fluorophenyl)quinazoline-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(F)cc2)nc2ccc(F)cc12
InChIInChI=1S/C15H8F2N2O2/c16-9-3-1-8(2-4-9)14-18-12-6-5-10(17)7-11(12)13(19-14)15(20)21/h1-7H,(H,20,21)
InChIKeyOCPAGLVYLAZYLH-UHFFFAOYSA-N
MW286.24 g/mol
LogP3.27
Rot. Bonds2

About 6-fluoro-2-(4-fluorophenyl)quinazoline-4-carboxylic acid

6-fluoro-2-(4-fluorophenyl)quinazoline-4-carboxylic acid (PubChem CID 90410713) has the molecular formula C15H8F2N2O2 and a molecular weight of 286.24 g/mol. Its IUPAC name is 6-fluoro-2-(4-fluorophenyl)quinazoline-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-(4-fluorophenyl)quinazoline-4-carboxylic acid
PubChem CID90410713
Molecular FormulaC15H8F2N2O2
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name6-fluoro-2-(4-fluorophenyl)quinazoline-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(F)cc2)nc2ccc(F)cc12
InChIInChI=1S/C15H8F2N2O2/c16-9-3-1-8(2-4-9)14-18-12-6-5-10(17)7-11(12)13(19-14)15(20)21/h1-7H,(H,20,21)
InChIKeyOCPAGLVYLAZYLH-UHFFFAOYSA-N
XLogP3.27
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-fluorophenyl)quinazoline-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-(4-fluorophenyl)quinazoline-4-carboxylic acid (CID 90410713) is 6-fluoro-2-(4-fluorophenyl)quinazoline-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-(4-fluorophenyl)quinazoline-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-(4-fluorophenyl)quinazoline-4-carboxylic acid is O=C(O)c1nc(-c2ccc(F)cc2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-(4-fluorophenyl)quinazoline-4-carboxylic acid?
The InChIKey is OCPAGLVYLAZYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N2O2/c16-9-3-1-8(2-4-9)14-18-12-6-5-10(17)7-11(12)13(19-14)15(20)21/h1-7H,(H,20,21).
What are the key properties of 6-fluoro-2-(4-fluorophenyl)quinazoline-4-carboxylic acid?
6-fluoro-2-(4-fluorophenyl)quinazoline-4-carboxylic acid has a molecular weight of 286.24 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-fluorophenyl)quinazoline-4-carboxylic acid is sourced from PubChem (CID 90410713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).