8-amino-3-phenylquinazolin-4-one

C14H11N3O — CID 90152792

IUPAC8-amino-3-phenylquinazolin-4-one
SMILESNc1cccc2c(=O)n(-c3ccccc3)cnc12
InChIInChI=1S/C14H11N3O/c15-12-8-4-7-11-13(12)16-9-17(14(11)18)10-5-2-1-3-6-10/h1-9H,15H2
InChIKeyDZPYCFSGIRYUAN-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.97
Rot. Bonds1

About 8-amino-3-phenylquinazolin-4-one

8-amino-3-phenylquinazolin-4-one (PubChem CID 90152792) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 8-amino-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name8-amino-3-phenylquinazolin-4-one
PubChem CID90152792
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name8-amino-3-phenylquinazolin-4-one
SMILESNc1cccc2c(=O)n(-c3ccccc3)cnc12
InChIInChI=1S/C14H11N3O/c15-12-8-4-7-11-13(12)16-9-17(14(11)18)10-5-2-1-3-6-10/h1-9H,15H2
InChIKeyDZPYCFSGIRYUAN-UHFFFAOYSA-N
XLogP1.97
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.97
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 8-amino-3-phenylquinazolin-4-one?
The IUPAC name of 8-amino-3-phenylquinazolin-4-one (CID 90152792) is 8-amino-3-phenylquinazolin-4-one.
What is the SMILES notation for 8-amino-3-phenylquinazolin-4-one?
The canonical SMILES for 8-amino-3-phenylquinazolin-4-one is Nc1cccc2c(=O)n(-c3ccccc3)cnc12.
What is the InChIKey of 8-amino-3-phenylquinazolin-4-one?
The InChIKey is DZPYCFSGIRYUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-12-8-4-7-11-13(12)16-9-17(14(11)18)10-5-2-1-3-6-10/h1-9H,15H2.
What are the key properties of 8-amino-3-phenylquinazolin-4-one?
8-amino-3-phenylquinazolin-4-one has a molecular weight of 237.26 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-phenylquinazolin-4-one is sourced from PubChem (CID 90152792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).