1-aminoquinazolin-2-one

C8H7N3O — CID 18463076

IUPAC1-aminoquinazolin-2-one
SMILESNn1c(=O)ncc2ccccc21
InChIInChI=1S/C8H7N3O/c9-11-7-4-2-1-3-6(7)5-10-8(11)12/h1-5H,9H2
InChIKeyCTADSSYRHYVTLP-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.11
Rot. Bonds

About 1-aminoquinazolin-2-one

1-aminoquinazolin-2-one (PubChem CID 18463076) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-aminoquinazolin-2-one.

Molecular Properties

Compound Name1-aminoquinazolin-2-one
PubChem CID18463076
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name1-aminoquinazolin-2-one
SMILESNn1c(=O)ncc2ccccc21
InChIInChI=1S/C8H7N3O/c9-11-7-4-2-1-3-6(7)5-10-8(11)12/h1-5H,9H2
InChIKeyCTADSSYRHYVTLP-UHFFFAOYSA-N
XLogP0.11
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-aminoquinazolin-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 1-aminoquinazolin-2-one?
The IUPAC name of 1-aminoquinazolin-2-one (CID 18463076) is 1-aminoquinazolin-2-one.
What is the SMILES notation for 1-aminoquinazolin-2-one?
The canonical SMILES for 1-aminoquinazolin-2-one is Nn1c(=O)ncc2ccccc21.
What is the InChIKey of 1-aminoquinazolin-2-one?
The InChIKey is CTADSSYRHYVTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-11-7-4-2-1-3-6(7)5-10-8(11)12/h1-5H,9H2.
What are the key properties of 1-aminoquinazolin-2-one?
1-aminoquinazolin-2-one has a molecular weight of 161.16 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoquinazolin-2-one is sourced from PubChem (CID 18463076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).