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

C14H10BrN3O — CID 3604136

IUPAC3-amino-2-(4-bromophenyl)quinazolin-4-one
SMILESNn1c(-c2ccc(Br)cc2)nc2ccccc2c1=O
InChIInChI=1S/C14H10BrN3O/c15-10-7-5-9(6-8-10)13-17-12-4-2-1-3-11(12)14(19)18(13)16/h1-8H,16H2
InChIKeyMJLSNPCPRHDBQJ-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.54
Rot. Bonds1

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

3-amino-2-(4-bromophenyl)quinazolin-4-one (PubChem CID 3604136) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 3-amino-2-(4-bromophenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-(4-bromophenyl)quinazolin-4-one
PubChem CID3604136
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name3-amino-2-(4-bromophenyl)quinazolin-4-one
SMILESNn1c(-c2ccc(Br)cc2)nc2ccccc2c1=O
InChIInChI=1S/C14H10BrN3O/c15-10-7-5-9(6-8-10)13-17-12-4-2-1-3-11(12)14(19)18(13)16/h1-8H,16H2
InChIKeyMJLSNPCPRHDBQJ-UHFFFAOYSA-N
XLogP2.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-(4-bromophenyl)quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-bromophenyl)quinazolin-4-one?
The IUPAC name of 3-amino-2-(4-bromophenyl)quinazolin-4-one (CID 3604136) is 3-amino-2-(4-bromophenyl)quinazolin-4-one.
What is the SMILES notation for 3-amino-2-(4-bromophenyl)quinazolin-4-one?
The canonical SMILES for 3-amino-2-(4-bromophenyl)quinazolin-4-one is Nn1c(-c2ccc(Br)cc2)nc2ccccc2c1=O.
What is the InChIKey of 3-amino-2-(4-bromophenyl)quinazolin-4-one?
The InChIKey is MJLSNPCPRHDBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-10-7-5-9(6-8-10)13-17-12-4-2-1-3-11(12)14(19)18(13)16/h1-8H,16H2.
What are the key properties of 3-amino-2-(4-bromophenyl)quinazolin-4-one?
3-amino-2-(4-bromophenyl)quinazolin-4-one has a molecular weight of 316.16 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-bromophenyl)quinazolin-4-one is sourced from PubChem (CID 3604136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).