2-amino-1-methylquinazolin-4-one

C9H9N3O — CID 13111346

IUPAC2-amino-1-methylquinazolin-4-one
SMILESCn1c(N)nc(=O)c2ccccc21
InChIInChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)8(13)11-9(12)10/h2-5H,1H3,(H2,10,11,13)
InChIKeyJSGNPOQOBHVVRT-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.52
Rot. Bonds

About 2-amino-1-methylquinazolin-4-one

2-amino-1-methylquinazolin-4-one (PubChem CID 13111346) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-amino-1-methylquinazolin-4-one.

Molecular Properties

Compound Name2-amino-1-methylquinazolin-4-one
PubChem CID13111346
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-amino-1-methylquinazolin-4-one
SMILESCn1c(N)nc(=O)c2ccccc21
InChIInChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)8(13)11-9(12)10/h2-5H,1H3,(H2,10,11,13)
InChIKeyJSGNPOQOBHVVRT-UHFFFAOYSA-N
XLogP0.52
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methylquinazolin-4-one?
The IUPAC name of 2-amino-1-methylquinazolin-4-one (CID 13111346) is 2-amino-1-methylquinazolin-4-one.
What is the SMILES notation for 2-amino-1-methylquinazolin-4-one?
The canonical SMILES for 2-amino-1-methylquinazolin-4-one is Cn1c(N)nc(=O)c2ccccc21.
What is the InChIKey of 2-amino-1-methylquinazolin-4-one?
The InChIKey is JSGNPOQOBHVVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)8(13)11-9(12)10/h2-5H,1H3,(H2,10,11,13).
What are the key properties of 2-amino-1-methylquinazolin-4-one?
2-amino-1-methylquinazolin-4-one has a molecular weight of 175.19 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methylquinazolin-4-one is sourced from PubChem (CID 13111346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).