1-(3-amino-4-methylphenyl)quinazolin-4-one

C15H13N3O — CID 82513868

IUPAC1-(3-amino-4-methylphenyl)quinazolin-4-one
SMILESCc1ccc(-n2cnc(=O)c3ccccc32)cc1N
InChIInChI=1S/C15H13N3O/c1-10-6-7-11(8-13(10)16)18-9-17-15(19)12-4-2-3-5-14(12)18/h2-9H,16H2,1H3
InChIKeyILPSJXHVIGKMAU-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.28
Rot. Bonds1

About 1-(3-amino-4-methylphenyl)quinazolin-4-one

1-(3-amino-4-methylphenyl)quinazolin-4-one (PubChem CID 82513868) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)quinazolin-4-one
PubChem CID82513868
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name1-(3-amino-4-methylphenyl)quinazolin-4-one
SMILESCc1ccc(-n2cnc(=O)c3ccccc32)cc1N
InChIInChI=1S/C15H13N3O/c1-10-6-7-11(8-13(10)16)18-9-17-15(19)12-4-2-3-5-14(12)18/h2-9H,16H2,1H3
InChIKeyILPSJXHVIGKMAU-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)quinazolin-4-one?
The IUPAC name of 1-(3-amino-4-methylphenyl)quinazolin-4-one (CID 82513868) is 1-(3-amino-4-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)quinazolin-4-one?
The canonical SMILES for 1-(3-amino-4-methylphenyl)quinazolin-4-one is Cc1ccc(-n2cnc(=O)c3ccccc32)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)quinazolin-4-one?
The InChIKey is ILPSJXHVIGKMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-6-7-11(8-13(10)16)18-9-17-15(19)12-4-2-3-5-14(12)18/h2-9H,16H2,1H3.
What are the key properties of 1-(3-amino-4-methylphenyl)quinazolin-4-one?
1-(3-amino-4-methylphenyl)quinazolin-4-one has a molecular weight of 251.29 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 82513868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).