4-(3-bromophenyl)-6,7-diethoxyquinazoline

C18H17BrN2O2 — CID 22663169

IUPAC4-(3-bromophenyl)-6,7-diethoxyquinazoline
SMILESCCOc1cc2ncnc(-c3cccc(Br)c3)c2cc1OCC
InChIInChI=1S/C18H17BrN2O2/c1-3-22-16-9-14-15(10-17(16)23-4-2)20-11-21-18(14)12-6-5-7-13(19)8-12/h5-11H,3-4H2,1-2H3
InChIKeyHDTAZRUUXZWWEU-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.86
Rot. Bonds5

About 4-(3-bromophenyl)-6,7-diethoxyquinazoline

4-(3-bromophenyl)-6,7-diethoxyquinazoline (PubChem CID 22663169) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 4-(3-bromophenyl)-6,7-diethoxyquinazoline.

Molecular Properties

Compound Name4-(3-bromophenyl)-6,7-diethoxyquinazoline
PubChem CID22663169
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name4-(3-bromophenyl)-6,7-diethoxyquinazoline
SMILESCCOc1cc2ncnc(-c3cccc(Br)c3)c2cc1OCC
InChIInChI=1S/C18H17BrN2O2/c1-3-22-16-9-14-15(10-17(16)23-4-2)20-11-21-18(14)12-6-5-7-13(19)8-12/h5-11H,3-4H2,1-2H3
InChIKeyHDTAZRUUXZWWEU-UHFFFAOYSA-N
XLogP4.86
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3-bromophenyl)-6,7-diethoxyquinazoline with MolForge

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

Launch Full Analysis

Related Compounds

6-bromo-7-ethoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline
CID 169231449
6-bromo-4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-7-ethoxyquinazoline
CID 169231200
6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine
CID 11014847
3-(6-bromoquinazolin-4-yl)benzonitrile
CID 68516089
6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine
CID 115504003
[7-ethoxy-4-(1-ethyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]methanol
CID 169231077
6-bromo-4-(1-ethyl-3-phenylpyrazol-4-yl)-7-methoxyquinazoline
CID 169231514
6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride
CID 68570553
6,7-diethoxy-N-[3-(1,3-oxazol-4-yl)phenyl]quinazolin-4-amine
CID 10172616
6,7-diethoxy-N-ethyl-N-methylquinazolin-4-amine chloride
CID 160550418
6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine
CID 57445232
3-[[5-(6-ethoxy-7-methoxyquinazolin-4-yl)tetrazol-1-yl]methyl]aniline
CID 89185732

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-6,7-diethoxyquinazoline?
The IUPAC name of 4-(3-bromophenyl)-6,7-diethoxyquinazoline (CID 22663169) is 4-(3-bromophenyl)-6,7-diethoxyquinazoline.
What is the SMILES notation for 4-(3-bromophenyl)-6,7-diethoxyquinazoline?
The canonical SMILES for 4-(3-bromophenyl)-6,7-diethoxyquinazoline is CCOc1cc2ncnc(-c3cccc(Br)c3)c2cc1OCC.
What is the InChIKey of 4-(3-bromophenyl)-6,7-diethoxyquinazoline?
The InChIKey is HDTAZRUUXZWWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-3-22-16-9-14-15(10-17(16)23-4-2)20-11-21-18(14)12-6-5-7-13(19)8-12/h5-11H,3-4H2,1-2H3.
What are the key properties of 4-(3-bromophenyl)-6,7-diethoxyquinazoline?
4-(3-bromophenyl)-6,7-diethoxyquinazoline has a molecular weight of 373.25 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-6,7-diethoxyquinazoline is sourced from PubChem (CID 22663169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).