6-bromo-2-(2-fluorophenyl)-N,N-dimethylquinazolin-4-amine

C16H13BrFN3 — CID 59212803

IUPAC6-bromo-2-(2-fluorophenyl)-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1nc(-c2ccccc2F)nc2ccc(Br)cc12
InChIInChI=1S/C16H13BrFN3/c1-21(2)16-12-9-10(17)7-8-14(12)19-15(20-16)11-5-3-4-6-13(11)18/h3-9H,1-2H3
InChIKeyFWUIUNJSXQLGCJ-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.26
Rot. Bonds2

About 6-bromo-2-(2-fluorophenyl)-N,N-dimethylquinazolin-4-amine

6-bromo-2-(2-fluorophenyl)-N,N-dimethylquinazolin-4-amine (PubChem CID 59212803) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 6-bromo-2-(2-fluorophenyl)-N,N-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(2-fluorophenyl)-N,N-dimethylquinazolin-4-amine
PubChem CID59212803
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name6-bromo-2-(2-fluorophenyl)-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1nc(-c2ccccc2F)nc2ccc(Br)cc12
InChIInChI=1S/C16H13BrFN3/c1-21(2)16-12-9-10(17)7-8-14(12)19-15(20-16)11-5-3-4-6-13(11)18/h3-9H,1-2H3
InChIKeyFWUIUNJSXQLGCJ-UHFFFAOYSA-N
XLogP4.26
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-fluorophenyl)-N,N-dimethylquinazolin-4-amine?
The IUPAC name of 6-bromo-2-(2-fluorophenyl)-N,N-dimethylquinazolin-4-amine (CID 59212803) is 6-bromo-2-(2-fluorophenyl)-N,N-dimethylquinazolin-4-amine.
What is the SMILES notation for 6-bromo-2-(2-fluorophenyl)-N,N-dimethylquinazolin-4-amine?
The canonical SMILES for 6-bromo-2-(2-fluorophenyl)-N,N-dimethylquinazolin-4-amine is CN(C)c1nc(-c2ccccc2F)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(2-fluorophenyl)-N,N-dimethylquinazolin-4-amine?
The InChIKey is FWUIUNJSXQLGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c1-21(2)16-12-9-10(17)7-8-14(12)19-15(20-16)11-5-3-4-6-13(11)18/h3-9H,1-2H3.
What are the key properties of 6-bromo-2-(2-fluorophenyl)-N,N-dimethylquinazolin-4-amine?
6-bromo-2-(2-fluorophenyl)-N,N-dimethylquinazolin-4-amine has a molecular weight of 346.20 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-fluorophenyl)-N,N-dimethylquinazolin-4-amine is sourced from PubChem (CID 59212803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).