3-bromo-6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]quinoline

C22H12BrClFN3 — CID 146661999

IUPAC3-bromo-6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESFc1ccc(Cl)cc1-c1nc2ccccn2c1-c1ccc2ncc(Br)cc2c1
InChIInChI=1S/C22H12BrClFN3/c23-15-10-14-9-13(4-7-19(14)26-12-15)22-21(17-11-16(24)5-6-18(17)25)27-20-3-1-2-8-28(20)22/h1-12H
InChIKeyZWKFWZCSJWAUPX-UHFFFAOYSA-N
MW452.71 g/mol
LogP6.77
Rot. Bonds2

About 3-bromo-6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]quinoline

3-bromo-6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 146661999) has the molecular formula C22H12BrClFN3 and a molecular weight of 452.71 g/mol. Its IUPAC name is 3-bromo-6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name3-bromo-6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID146661999
Molecular FormulaC22H12BrClFN3
Molecular Weight452.71 g/mol
Exact Mass450.99
IUPAC Name3-bromo-6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESFc1ccc(Cl)cc1-c1nc2ccccn2c1-c1ccc2ncc(Br)cc2c1
InChIInChI=1S/C22H12BrClFN3/c23-15-10-14-9-13(4-7-19(14)26-12-15)22-21(17-11-16(24)5-6-18(17)25)27-20-3-1-2-8-28(20)22/h1-12H
InChIKeyZWKFWZCSJWAUPX-UHFFFAOYSA-N
XLogP6.77
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.71
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 3-bromo-6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]quinoline (CID 146661999) is 3-bromo-6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 3-bromo-6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 3-bromo-6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]quinoline is Fc1ccc(Cl)cc1-c1nc2ccccn2c1-c1ccc2ncc(Br)cc2c1.
What is the InChIKey of 3-bromo-6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is ZWKFWZCSJWAUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12BrClFN3/c23-15-10-14-9-13(4-7-19(14)26-12-15)22-21(17-11-16(24)5-6-18(17)25)27-20-3-1-2-8-28(20)22/h1-12H.
What are the key properties of 3-bromo-6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
3-bromo-6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 452.71 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 146661999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).