3-(5-amino-2-bromo-3-methylphenyl)-2-ethylquinazolin-4-one

C17H16BrN3O — CID 166444168

IUPAC3-(5-amino-2-bromo-3-methylphenyl)-2-ethylquinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1-c1cc(N)cc(C)c1Br
InChIInChI=1S/C17H16BrN3O/c1-3-15-20-13-7-5-4-6-12(13)17(22)21(15)14-9-11(19)8-10(2)16(14)18/h4-9H,3,19H2,1-2H3
InChIKeyCLNQZPUYQUEIKD-UHFFFAOYSA-N
MW358.24 g/mol
LogP3.60
Rot. Bonds2

About 3-(5-amino-2-bromo-3-methylphenyl)-2-ethylquinazolin-4-one

3-(5-amino-2-bromo-3-methylphenyl)-2-ethylquinazolin-4-one (PubChem CID 166444168) has the molecular formula C17H16BrN3O and a molecular weight of 358.24 g/mol. Its IUPAC name is 3-(5-amino-2-bromo-3-methylphenyl)-2-ethylquinazolin-4-one.

Molecular Properties

Compound Name3-(5-amino-2-bromo-3-methylphenyl)-2-ethylquinazolin-4-one
PubChem CID166444168
Molecular FormulaC17H16BrN3O
Molecular Weight358.24 g/mol
Exact Mass357.05
IUPAC Name3-(5-amino-2-bromo-3-methylphenyl)-2-ethylquinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1-c1cc(N)cc(C)c1Br
InChIInChI=1S/C17H16BrN3O/c1-3-15-20-13-7-5-4-6-12(13)17(22)21(15)14-9-11(19)8-10(2)16(14)18/h4-9H,3,19H2,1-2H3
InChIKeyCLNQZPUYQUEIKD-UHFFFAOYSA-N
XLogP3.60
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-3-phenylquinazolin-4-one
CID 719985
2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one
CID 69101971
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218
2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one
CID 61064059
3-(6-bromo-1,3-benzothiazol-2-yl)-2-ethylquinazolin-4-one
CID 56839877
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
3-(dimethylamino)-2-ethylquinazolin-4-one
CID 10680290
2-ethyl-3-(2-fluorophenyl)-6-iodoquinazolin-4-one
CID 1290191
3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
2-(bromomethyl)-3-(4-methylphenyl)quinazolin-4-one
CID 15561402
(2-ethyl-4-oxoquinazolin-3-yl)thiourea
CID 12516860
1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine
CID 107579219

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-bromo-3-methylphenyl)-2-ethylquinazolin-4-one?
The IUPAC name of 3-(5-amino-2-bromo-3-methylphenyl)-2-ethylquinazolin-4-one (CID 166444168) is 3-(5-amino-2-bromo-3-methylphenyl)-2-ethylquinazolin-4-one.
What is the SMILES notation for 3-(5-amino-2-bromo-3-methylphenyl)-2-ethylquinazolin-4-one?
The canonical SMILES for 3-(5-amino-2-bromo-3-methylphenyl)-2-ethylquinazolin-4-one is CCc1nc2ccccc2c(=O)n1-c1cc(N)cc(C)c1Br.
What is the InChIKey of 3-(5-amino-2-bromo-3-methylphenyl)-2-ethylquinazolin-4-one?
The InChIKey is CLNQZPUYQUEIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O/c1-3-15-20-13-7-5-4-6-12(13)17(22)21(15)14-9-11(19)8-10(2)16(14)18/h4-9H,3,19H2,1-2H3.
What are the key properties of 3-(5-amino-2-bromo-3-methylphenyl)-2-ethylquinazolin-4-one?
3-(5-amino-2-bromo-3-methylphenyl)-2-ethylquinazolin-4-one has a molecular weight of 358.24 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-bromo-3-methylphenyl)-2-ethylquinazolin-4-one is sourced from PubChem (CID 166444168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).