3-(2-aminoquinazolin-6-yl)benzoic acid

C15H11N3O2 — CID 58829166

IUPAC3-(2-aminoquinazolin-6-yl)benzoic acid
SMILESNc1ncc2cc(-c3cccc(C(=O)O)c3)ccc2n1
InChIInChI=1S/C15H11N3O2/c16-15-17-8-12-7-10(4-5-13(12)18-15)9-2-1-3-11(6-9)14(19)20/h1-8H,(H,19,20)(H2,16,17,18)
InChIKeyHVVJAWZIPYMGEZ-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.58
Rot. Bonds2

About 3-(2-aminoquinazolin-6-yl)benzoic acid

3-(2-aminoquinazolin-6-yl)benzoic acid (PubChem CID 58829166) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)benzoic acid.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)benzoic acid
PubChem CID58829166
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name3-(2-aminoquinazolin-6-yl)benzoic acid
SMILESNc1ncc2cc(-c3cccc(C(=O)O)c3)ccc2n1
InChIInChI=1S/C15H11N3O2/c16-15-17-8-12-7-10(4-5-13(12)18-15)9-2-1-3-11(6-9)14(19)20/h1-8H,(H,19,20)(H2,16,17,18)
InChIKeyHVVJAWZIPYMGEZ-UHFFFAOYSA-N
XLogP2.58
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-6-yl)benzoic acid?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)benzoic acid (CID 58829166) is 3-(2-aminoquinazolin-6-yl)benzoic acid.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)benzoic acid?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)benzoic acid is Nc1ncc2cc(-c3cccc(C(=O)O)c3)ccc2n1.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)benzoic acid?
The InChIKey is HVVJAWZIPYMGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c16-15-17-8-12-7-10(4-5-13(12)18-15)9-2-1-3-11(6-9)14(19)20/h1-8H,(H,19,20)(H2,16,17,18).
What are the key properties of 3-(2-aminoquinazolin-6-yl)benzoic acid?
3-(2-aminoquinazolin-6-yl)benzoic acid has a molecular weight of 265.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-6-yl)benzoic acid is sourced from PubChem (CID 58829166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).