3-(4-aminoquinazolin-6-yl)-5-fluorobenzoic acid

C15H10FN3O2 — CID 163517794

IUPAC3-(4-aminoquinazolin-6-yl)-5-fluorobenzoic acid
SMILESNc1ncnc2ccc(-c3cc(F)cc(C(=O)O)c3)cc12
InChIInChI=1S/C15H10FN3O2/c16-11-4-9(3-10(5-11)15(20)21)8-1-2-13-12(6-8)14(17)19-7-18-13/h1-7H,(H,20,21)(H2,17,18,19)
InChIKeyDIFZCBQHJABLEU-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.72
Rot. Bonds2

About 3-(4-aminoquinazolin-6-yl)-5-fluorobenzoic acid

3-(4-aminoquinazolin-6-yl)-5-fluorobenzoic acid (PubChem CID 163517794) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is 3-(4-aminoquinazolin-6-yl)-5-fluorobenzoic acid.

Molecular Properties

Compound Name3-(4-aminoquinazolin-6-yl)-5-fluorobenzoic acid
PubChem CID163517794
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC Name3-(4-aminoquinazolin-6-yl)-5-fluorobenzoic acid
SMILESNc1ncnc2ccc(-c3cc(F)cc(C(=O)O)c3)cc12
InChIInChI=1S/C15H10FN3O2/c16-11-4-9(3-10(5-11)15(20)21)8-1-2-13-12(6-8)14(17)19-7-18-13/h1-7H,(H,20,21)(H2,17,18,19)
InChIKeyDIFZCBQHJABLEU-UHFFFAOYSA-N
XLogP2.72
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminoquinazolin-6-yl)-5-fluorobenzoic acid?
The IUPAC name of 3-(4-aminoquinazolin-6-yl)-5-fluorobenzoic acid (CID 163517794) is 3-(4-aminoquinazolin-6-yl)-5-fluorobenzoic acid.
What is the SMILES notation for 3-(4-aminoquinazolin-6-yl)-5-fluorobenzoic acid?
The canonical SMILES for 3-(4-aminoquinazolin-6-yl)-5-fluorobenzoic acid is Nc1ncnc2ccc(-c3cc(F)cc(C(=O)O)c3)cc12.
What is the InChIKey of 3-(4-aminoquinazolin-6-yl)-5-fluorobenzoic acid?
The InChIKey is DIFZCBQHJABLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2/c16-11-4-9(3-10(5-11)15(20)21)8-1-2-13-12(6-8)14(17)19-7-18-13/h1-7H,(H,20,21)(H2,17,18,19).
What are the key properties of 3-(4-aminoquinazolin-6-yl)-5-fluorobenzoic acid?
3-(4-aminoquinazolin-6-yl)-5-fluorobenzoic acid has a molecular weight of 283.26 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminoquinazolin-6-yl)-5-fluorobenzoic acid is sourced from PubChem (CID 163517794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).