N-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine

C18H18BrN3O2 — CID 2857

IUPACN-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
InChIInChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
InChIKeyYXOXHAUUTIOBDA-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.93
Rot. Bonds6

About N-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine

N-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine (PubChem CID 2857) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine
PubChem CID2857
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC NameN-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
InChIInChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
InChIKeyYXOXHAUUTIOBDA-UHFFFAOYSA-N
XLogP4.93
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine 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 N-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine?
The IUPAC name of N-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine (CID 2857) is N-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine is CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC.
What is the InChIKey of N-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine?
The InChIKey is YXOXHAUUTIOBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22).
What are the key properties of N-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine?
N-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine has a molecular weight of 388.27 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine is sourced from PubChem (CID 2857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).