6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine

C16H13BrFN3 — CID 64981378

IUPAC6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2ccc(C)c(F)c2)nc2ccc(Br)cc12
InChIInChI=1S/C16H13BrFN3/c1-9-3-4-10(7-13(9)18)15-20-14-6-5-11(17)8-12(14)16(19-2)21-15/h3-8H,1-2H3,(H,19,20,21)
InChIKeyIMZRWJYAUZTMET-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.55
Rot. Bonds2

About 6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine

6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine (PubChem CID 64981378) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine
PubChem CID64981378
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2ccc(C)c(F)c2)nc2ccc(Br)cc12
InChIInChI=1S/C16H13BrFN3/c1-9-3-4-10(7-13(9)18)15-20-14-6-5-11(17)8-12(14)16(19-2)21-15/h3-8H,1-2H3,(H,19,20,21)
InChIKeyIMZRWJYAUZTMET-UHFFFAOYSA-N
XLogP4.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-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 6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine (CID 64981378) is 6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine is CNc1nc(-c2ccc(C)c(F)c2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine?
The InChIKey is IMZRWJYAUZTMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c1-9-3-4-10(7-13(9)18)15-20-14-6-5-11(17)8-12(14)16(19-2)21-15/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of 6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine?
6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine has a molecular weight of 346.20 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 64981378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).