3-bromo-7-chloroimidazo[2,1-a]isoquinoline

C11H6BrClN2 — CID 115051768

IUPAC3-bromo-7-chloroimidazo[2,1-a]isoquinoline
SMILESClc1cccc2c1ccn1c(Br)cnc21
InChIInChI=1S/C11H6BrClN2/c12-10-6-14-11-8-2-1-3-9(13)7(8)4-5-15(10)11/h1-6H
InChIKeyAABZDGJZAIDLNU-UHFFFAOYSA-N
MW281.54 g/mol
LogP3.90
Rot. Bonds

About 3-bromo-7-chloroimidazo[2,1-a]isoquinoline

3-bromo-7-chloroimidazo[2,1-a]isoquinoline (PubChem CID 115051768) has the molecular formula C11H6BrClN2 and a molecular weight of 281.54 g/mol. Its IUPAC name is 3-bromo-7-chloroimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-bromo-7-chloroimidazo[2,1-a]isoquinoline
PubChem CID115051768
Molecular FormulaC11H6BrClN2
Molecular Weight281.54 g/mol
Exact Mass279.94
IUPAC Name3-bromo-7-chloroimidazo[2,1-a]isoquinoline
SMILESClc1cccc2c1ccn1c(Br)cnc21
InChIInChI=1S/C11H6BrClN2/c12-10-6-14-11-8-2-1-3-9(13)7(8)4-5-15(10)11/h1-6H
InChIKeyAABZDGJZAIDLNU-UHFFFAOYSA-N
XLogP3.90
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.54
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-7-methylimidazo[2,1-a]isoquinoline
CID 115048749
7-chloroimidazo[2,1-a]isoquinoline
CID 58517958
(3-bromo-8-fluoroimidazo[1,2-a]pyridin-7-yl)methanol
CID 130065270
(3-bromoimidazo[1,2-a]pyridin-8-yl)methanamine
CID 82618151
3,5-dibromoimidazo[1,2-f]phenanthridine
CID 118915715
3-bromo-7-methoxy-8-methylimidazo[1,2-a]pyridine
CID 130064778
3-bromo-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 146596485
1-(7-hydroxyimidazo[2,1-a]isoquinolin-3-yl)ethanone
CID 115035417
8-bromo-7-chloroimidazo[1,2-a]pyridin-3-amine
CID 130065569
N-(3-bromoimidazo[1,2-a]pyridin-8-yl)acetamide
CID 46838754
1-chloro-5-[(5-chloronaphthalen-1-yl)methyl]naphthalene
CID 173152274
1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole
CID 116623535

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloroimidazo[2,1-a]isoquinoline?
The IUPAC name of 3-bromo-7-chloroimidazo[2,1-a]isoquinoline (CID 115051768) is 3-bromo-7-chloroimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 3-bromo-7-chloroimidazo[2,1-a]isoquinoline?
The canonical SMILES for 3-bromo-7-chloroimidazo[2,1-a]isoquinoline is Clc1cccc2c1ccn1c(Br)cnc21.
What is the InChIKey of 3-bromo-7-chloroimidazo[2,1-a]isoquinoline?
The InChIKey is AABZDGJZAIDLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClN2/c12-10-6-14-11-8-2-1-3-9(13)7(8)4-5-15(10)11/h1-6H.
What are the key properties of 3-bromo-7-chloroimidazo[2,1-a]isoquinoline?
3-bromo-7-chloroimidazo[2,1-a]isoquinoline has a molecular weight of 281.54 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloroimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 115051768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).