2-(3-bromophenyl)-7-methoxyquinazoline-4,6-diamine

C15H13BrN4O — CID 90282668

IUPAC2-(3-bromophenyl)-7-methoxyquinazoline-4,6-diamine
SMILESCOc1cc2nc(-c3cccc(Br)c3)nc(N)c2cc1N
InChIInChI=1S/C15H13BrN4O/c1-21-13-7-12-10(6-11(13)17)14(18)20-15(19-12)8-3-2-4-9(16)5-8/h2-7H,17H2,1H3,(H2,18,19,20)
InChIKeyWRQJRZUNPGAESS-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.23
Rot. Bonds2

About 2-(3-bromophenyl)-7-methoxyquinazoline-4,6-diamine

2-(3-bromophenyl)-7-methoxyquinazoline-4,6-diamine (PubChem CID 90282668) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-7-methoxyquinazoline-4,6-diamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-7-methoxyquinazoline-4,6-diamine
PubChem CID90282668
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name2-(3-bromophenyl)-7-methoxyquinazoline-4,6-diamine
SMILESCOc1cc2nc(-c3cccc(Br)c3)nc(N)c2cc1N
InChIInChI=1S/C15H13BrN4O/c1-21-13-7-12-10(6-11(13)17)14(18)20-15(19-12)8-3-2-4-9(16)5-8/h2-7H,17H2,1H3,(H2,18,19,20)
InChIKeyWRQJRZUNPGAESS-UHFFFAOYSA-N
XLogP3.23
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-bromophenyl)-7-methoxyquinazoline-4,6-diamine 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 2-(3-bromophenyl)-7-methoxyquinazoline-4,6-diamine?
The IUPAC name of 2-(3-bromophenyl)-7-methoxyquinazoline-4,6-diamine (CID 90282668) is 2-(3-bromophenyl)-7-methoxyquinazoline-4,6-diamine.
What is the SMILES notation for 2-(3-bromophenyl)-7-methoxyquinazoline-4,6-diamine?
The canonical SMILES for 2-(3-bromophenyl)-7-methoxyquinazoline-4,6-diamine is COc1cc2nc(-c3cccc(Br)c3)nc(N)c2cc1N.
What is the InChIKey of 2-(3-bromophenyl)-7-methoxyquinazoline-4,6-diamine?
The InChIKey is WRQJRZUNPGAESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-21-13-7-12-10(6-11(13)17)14(18)20-15(19-12)8-3-2-4-9(16)5-8/h2-7H,17H2,1H3,(H2,18,19,20).
What are the key properties of 2-(3-bromophenyl)-7-methoxyquinazoline-4,6-diamine?
2-(3-bromophenyl)-7-methoxyquinazoline-4,6-diamine has a molecular weight of 345.20 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-7-methoxyquinazoline-4,6-diamine is sourced from PubChem (CID 90282668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).