4-amino-5-hydroxy-1H-quinazolin-2-one

C8H7N3O2 — CID 135903172

IUPAC4-amino-5-hydroxy-1H-quinazolin-2-one
SMILESNc1nc(=O)[nH]c2cccc(O)c12
InChIInChI=1S/C8H7N3O2/c9-7-6-4(10-8(13)11-7)2-1-3-5(6)12/h1-3,12H,(H3,9,10,11,13)
InChIKeyQVMRWFSUGKDJLF-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.21
Rot. Bonds

About 4-amino-5-hydroxy-1H-quinazolin-2-one

4-amino-5-hydroxy-1H-quinazolin-2-one (PubChem CID 135903172) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4-amino-5-hydroxy-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-amino-5-hydroxy-1H-quinazolin-2-one
PubChem CID135903172
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name4-amino-5-hydroxy-1H-quinazolin-2-one
SMILESNc1nc(=O)[nH]c2cccc(O)c12
InChIInChI=1S/C8H7N3O2/c9-7-6-4(10-8(13)11-7)2-1-3-5(6)12/h1-3,12H,(H3,9,10,11,13)
InChIKeyQVMRWFSUGKDJLF-UHFFFAOYSA-N
XLogP0.21
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-hydroxy-1H-quinazolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-hydroxy-1H-quinazolin-2-one?
The IUPAC name of 4-amino-5-hydroxy-1H-quinazolin-2-one (CID 135903172) is 4-amino-5-hydroxy-1H-quinazolin-2-one.
What is the SMILES notation for 4-amino-5-hydroxy-1H-quinazolin-2-one?
The canonical SMILES for 4-amino-5-hydroxy-1H-quinazolin-2-one is Nc1nc(=O)[nH]c2cccc(O)c12.
What is the InChIKey of 4-amino-5-hydroxy-1H-quinazolin-2-one?
The InChIKey is QVMRWFSUGKDJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-7-6-4(10-8(13)11-7)2-1-3-5(6)12/h1-3,12H,(H3,9,10,11,13).
What are the key properties of 4-amino-5-hydroxy-1H-quinazolin-2-one?
4-amino-5-hydroxy-1H-quinazolin-2-one has a molecular weight of 177.16 g/mol, XLogP of 0.21, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-hydroxy-1H-quinazolin-2-one is sourced from PubChem (CID 135903172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).