N-[(4-bromothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine

C14H11BrFN3S — CID 78901449

IUPACN-[(4-bromothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine
SMILESCN(Cc1cc(Br)cs1)c1ncnc2cccc(F)c12
InChIInChI=1S/C14H11BrFN3S/c1-19(6-10-5-9(15)7-20-10)14-13-11(16)3-2-4-12(13)17-8-18-14/h2-5,7-8H,6H2,1H3
InChIKeyLBMRYAWFPSJILO-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.23
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine

N-[(4-bromothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine (PubChem CID 78901449) has the molecular formula C14H11BrFN3S and a molecular weight of 352.23 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine
PubChem CID78901449
Molecular FormulaC14H11BrFN3S
Molecular Weight352.23 g/mol
Exact Mass350.98
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine
SMILESCN(Cc1cc(Br)cs1)c1ncnc2cccc(F)c12
InChIInChI=1S/C14H11BrFN3S/c1-19(6-10-5-9(15)7-20-10)14-13-11(16)3-2-4-12(13)17-8-18-14/h2-5,7-8H,6H2,1H3
InChIKeyLBMRYAWFPSJILO-UHFFFAOYSA-N
XLogP4.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4-bromothiophen-2-yl)methyl]-5-fluoro-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 N-[(4-bromothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine (CID 78901449) is N-[(4-bromothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine is CN(Cc1cc(Br)cs1)c1ncnc2cccc(F)c12.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine?
The InChIKey is LBMRYAWFPSJILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3S/c1-19(6-10-5-9(15)7-20-10)14-13-11(16)3-2-4-12(13)17-8-18-14/h2-5,7-8H,6H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine?
N-[(4-bromothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine has a molecular weight of 352.23 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine is sourced from PubChem (CID 78901449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).