2-aminoquinazoline-4-carboxylic acid

C9H7N3O2 — CID 19390575

IUPAC2-aminoquinazoline-4-carboxylic acid
SMILESNc1nc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C9H7N3O2/c10-9-11-6-4-2-1-3-5(6)7(12-9)8(13)14/h1-4H,(H,13,14)(H2,10,11,12)
InChIKeyJRGBSVQGSBEEEU-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.91
Rot. Bonds1

About 2-aminoquinazoline-4-carboxylic acid

2-aminoquinazoline-4-carboxylic acid (PubChem CID 19390575) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-aminoquinazoline-4-carboxylic acid.

Molecular Properties

Compound Name2-aminoquinazoline-4-carboxylic acid
PubChem CID19390575
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name2-aminoquinazoline-4-carboxylic acid
SMILESNc1nc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C9H7N3O2/c10-9-11-6-4-2-1-3-5(6)7(12-9)8(13)14/h1-4H,(H,13,14)(H2,10,11,12)
InChIKeyJRGBSVQGSBEEEU-UHFFFAOYSA-N
XLogP0.91
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-aminoquinazoline-4-carboxylic acid?
The IUPAC name of 2-aminoquinazoline-4-carboxylic acid (CID 19390575) is 2-aminoquinazoline-4-carboxylic acid.
What is the SMILES notation for 2-aminoquinazoline-4-carboxylic acid?
The canonical SMILES for 2-aminoquinazoline-4-carboxylic acid is Nc1nc(C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-aminoquinazoline-4-carboxylic acid?
The InChIKey is JRGBSVQGSBEEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c10-9-11-6-4-2-1-3-5(6)7(12-9)8(13)14/h1-4H,(H,13,14)(H2,10,11,12).
What are the key properties of 2-aminoquinazoline-4-carboxylic acid?
2-aminoquinazoline-4-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoquinazoline-4-carboxylic acid is sourced from PubChem (CID 19390575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).