6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one

C15H13N3O2 — CID 136809447

IUPAC6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one
SMILESCc1ccccc1Oc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C15H13N3O2/c1-9-4-2-3-5-13(9)20-15-17-12-7-6-10(16)8-11(12)14(19)18-15/h2-8H,16H2,1H3,(H,17,18,19)
InChIKeyHZTKXSYGPBOSHN-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.61
Rot. Bonds2

About 6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one

6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one (PubChem CID 136809447) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one
PubChem CID136809447
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one
SMILESCc1ccccc1Oc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C15H13N3O2/c1-9-4-2-3-5-13(9)20-15-17-12-7-6-10(16)8-11(12)14(19)18-15/h2-8H,16H2,1H3,(H,17,18,19)
InChIKeyHZTKXSYGPBOSHN-UHFFFAOYSA-N
XLogP2.61
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one
CID 136809559
2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile
CID 136809460
6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one
CID 136809534
6-amino-2-(2-bromo-5-fluorophenoxy)-3H-quinazolin-4-one
CID 136809564
6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one
CID 136809563
6-amino-2-(3-methylbutan-2-yloxy)-3H-quinazolin-4-one
CID 136809560
6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one
CID 136809586
6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one
CID 136809561
6-amino-2-cycloheptyloxy-3H-quinazolin-4-one
CID 136809510
6-amino-2-methylsulfanyl-3H-quinazolin-4-one
CID 136809642
2-(2-amino-4-methyl-3-phenylphenoxy)-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137286843
6-amino-2-(3-methylphenyl)sulfanyl-3H-quinazolin-4-one
CID 136809643

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one (CID 136809447) is 6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one is Cc1ccccc1Oc1nc2ccc(N)cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one?
The InChIKey is HZTKXSYGPBOSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-4-2-3-5-13(9)20-15-17-12-7-6-10(16)8-11(12)14(19)18-15/h2-8H,16H2,1H3,(H,17,18,19).
What are the key properties of 6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one?
6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one has a molecular weight of 267.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one is sourced from PubChem (CID 136809447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).