3-amino-2-(3-methylphenyl)quinazolin-4-one

C15H13N3O — CID 777429

IUPAC3-amino-2-(3-methylphenyl)quinazolin-4-one
SMILESCc1cccc(-c2nc3ccccc3c(=O)n2N)c1
InChIInChI=1S/C15H13N3O/c1-10-5-4-6-11(9-10)14-17-13-8-3-2-7-12(13)15(19)18(14)16/h2-9H,16H2,1H3
InChIKeyAKZDOSGIGQBKQF-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.09
Rot. Bonds1

About 3-amino-2-(3-methylphenyl)quinazolin-4-one

3-amino-2-(3-methylphenyl)quinazolin-4-one (PubChem CID 777429) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-amino-2-(3-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-(3-methylphenyl)quinazolin-4-one
PubChem CID777429
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name3-amino-2-(3-methylphenyl)quinazolin-4-one
SMILESCc1cccc(-c2nc3ccccc3c(=O)n2N)c1
InChIInChI=1S/C15H13N3O/c1-10-5-4-6-11(9-10)14-17-13-8-3-2-7-12(13)15(19)18(14)16/h2-9H,16H2,1H3
InChIKeyAKZDOSGIGQBKQF-UHFFFAOYSA-N
XLogP2.09
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methylphenyl)quinazolin-4-one?
The IUPAC name of 3-amino-2-(3-methylphenyl)quinazolin-4-one (CID 777429) is 3-amino-2-(3-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 3-amino-2-(3-methylphenyl)quinazolin-4-one?
The canonical SMILES for 3-amino-2-(3-methylphenyl)quinazolin-4-one is Cc1cccc(-c2nc3ccccc3c(=O)n2N)c1.
What is the InChIKey of 3-amino-2-(3-methylphenyl)quinazolin-4-one?
The InChIKey is AKZDOSGIGQBKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-5-4-6-11(9-10)14-17-13-8-3-2-7-12(13)15(19)18(14)16/h2-9H,16H2,1H3.
What are the key properties of 3-amino-2-(3-methylphenyl)quinazolin-4-one?
3-amino-2-(3-methylphenyl)quinazolin-4-one has a molecular weight of 251.29 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 777429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).