7-bromo-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]imidazo[1,2-a]quinazolin-5-amine

C18H12BrF3N4 — CID 166476163

IUPAC7-bromo-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]imidazo[1,2-a]quinazolin-5-amine
SMILESFc1c(CNc2nc3nccn3c3ccc(Br)cc23)cccc1C(F)F
InChIInChI=1S/C18H12BrF3N4/c19-11-4-5-14-13(8-11)17(25-18-23-6-7-26(14)18)24-9-10-2-1-3-12(15(10)20)16(21)22/h1-8,16H,9H2,(H,23,24,25)
InChIKeyAWDLJAMZKQWTKL-UHFFFAOYSA-N
MW421.22 g/mol
LogP5.33
Rot. Bonds4

About 7-bromo-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]imidazo[1,2-a]quinazolin-5-amine

7-bromo-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]imidazo[1,2-a]quinazolin-5-amine (PubChem CID 166476163) has the molecular formula C18H12BrF3N4 and a molecular weight of 421.22 g/mol. Its IUPAC name is 7-bromo-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]imidazo[1,2-a]quinazolin-5-amine.

Molecular Properties

Compound Name7-bromo-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]imidazo[1,2-a]quinazolin-5-amine
PubChem CID166476163
Molecular FormulaC18H12BrF3N4
Molecular Weight421.22 g/mol
Exact Mass420.02
IUPAC Name7-bromo-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]imidazo[1,2-a]quinazolin-5-amine
SMILESFc1c(CNc2nc3nccn3c3ccc(Br)cc23)cccc1C(F)F
InChIInChI=1S/C18H12BrF3N4/c19-11-4-5-14-13(8-11)17(25-18-23-6-7-26(14)18)24-9-10-2-1-3-12(15(10)20)16(21)22/h1-8,16H,9H2,(H,23,24,25)
InChIKeyAWDLJAMZKQWTKL-UHFFFAOYSA-N
XLogP5.33
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.22
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]imidazo[1,2-a]quinazolin-5-amine?
The IUPAC name of 7-bromo-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]imidazo[1,2-a]quinazolin-5-amine (CID 166476163) is 7-bromo-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]imidazo[1,2-a]quinazolin-5-amine.
What is the SMILES notation for 7-bromo-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]imidazo[1,2-a]quinazolin-5-amine?
The canonical SMILES for 7-bromo-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]imidazo[1,2-a]quinazolin-5-amine is Fc1c(CNc2nc3nccn3c3ccc(Br)cc23)cccc1C(F)F.
What is the InChIKey of 7-bromo-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]imidazo[1,2-a]quinazolin-5-amine?
The InChIKey is AWDLJAMZKQWTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF3N4/c19-11-4-5-14-13(8-11)17(25-18-23-6-7-26(14)18)24-9-10-2-1-3-12(15(10)20)16(21)22/h1-8,16H,9H2,(H,23,24,25).
What are the key properties of 7-bromo-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]imidazo[1,2-a]quinazolin-5-amine?
7-bromo-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]imidazo[1,2-a]quinazolin-5-amine has a molecular weight of 421.22 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]imidazo[1,2-a]quinazolin-5-amine is sourced from PubChem (CID 166476163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).