8-amino-2-methyl-3H-quinazolin-4-one

C9H9N3O — CID 135981165

IUPAC8-amino-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2c(N)cccc2c(=O)[nH]1
InChIInChI=1S/C9H9N3O/c1-5-11-8-6(9(13)12-5)3-2-4-7(8)10/h2-4H,10H2,1H3,(H,11,12,13)
InChIKeyXBMZQMYLSDNXHE-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.81
Rot. Bonds

About 8-amino-2-methyl-3H-quinazolin-4-one

8-amino-2-methyl-3H-quinazolin-4-one (PubChem CID 135981165) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 8-amino-2-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-amino-2-methyl-3H-quinazolin-4-one
PubChem CID135981165
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name8-amino-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2c(N)cccc2c(=O)[nH]1
InChIInChI=1S/C9H9N3O/c1-5-11-8-6(9(13)12-5)3-2-4-7(8)10/h2-4H,10H2,1H3,(H,11,12,13)
InChIKeyXBMZQMYLSDNXHE-UHFFFAOYSA-N
XLogP0.81
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-methyl-3H-quinazolin-4-one
CID 135573275
8-bromo-2,7-dimethyl-3H-quinazolin-4-one
CID 135894574
ethane;8-iodo-2,7-dimethyl-3H-quinazolin-4-one
CID 136653935
2-methyl-3H-imidazo[4,5-c]quinolin-4-amine
CID 18915259
2-methyl-8-[4-(1-methylpiperidin-4-yl)phenyl]-3H-quinazolin-4-one
CID 175783508
2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one
CID 135726664
4-amino-3,5-dimethyl-2H-isoquinolin-1-one
CID 84661457
2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one
CID 136691790
6-bromo-2,8-dimethyl-3H-quinazolin-4-one
CID 137009991
methylsulfonylmethane;naphthalen-1-amine
CID 158608928
2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135500331
2-cyclopropyl-8-methyl-3H-quinazolin-4-one
CID 137201441

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-methyl-3H-quinazolin-4-one?
The IUPAC name of 8-amino-2-methyl-3H-quinazolin-4-one (CID 135981165) is 8-amino-2-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 8-amino-2-methyl-3H-quinazolin-4-one?
The canonical SMILES for 8-amino-2-methyl-3H-quinazolin-4-one is Cc1nc2c(N)cccc2c(=O)[nH]1.
What is the InChIKey of 8-amino-2-methyl-3H-quinazolin-4-one?
The InChIKey is XBMZQMYLSDNXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-5-11-8-6(9(13)12-5)3-2-4-7(8)10/h2-4H,10H2,1H3,(H,11,12,13).
What are the key properties of 8-amino-2-methyl-3H-quinazolin-4-one?
8-amino-2-methyl-3H-quinazolin-4-one has a molecular weight of 175.19 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135981165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).