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

C12H9BrN2 — CID 115048749

IUPAC3-bromo-7-methylimidazo[2,1-a]isoquinoline
SMILESCc1cccc2c1ccn1c(Br)cnc21
InChIInChI=1S/C12H9BrN2/c1-8-3-2-4-10-9(8)5-6-15-11(13)7-14-12(10)15/h2-7H,1H3
InChIKeyOKMDFMXVCRPFTR-UHFFFAOYSA-N
MW261.12 g/mol
LogP3.56
Rot. Bonds

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

3-bromo-7-methylimidazo[2,1-a]isoquinoline (PubChem CID 115048749) has the molecular formula C12H9BrN2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 3-bromo-7-methylimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-bromo-7-methylimidazo[2,1-a]isoquinoline
PubChem CID115048749
Molecular FormulaC12H9BrN2
Molecular Weight261.12 g/mol
Exact Mass259.99
IUPAC Name3-bromo-7-methylimidazo[2,1-a]isoquinoline
SMILESCc1cccc2c1ccn1c(Br)cnc21
InChIInChI=1S/C12H9BrN2/c1-8-3-2-4-10-9(8)5-6-15-11(13)7-14-12(10)15/h2-7H,1H3
InChIKeyOKMDFMXVCRPFTR-UHFFFAOYSA-N
XLogP3.56
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-7-chloroimidazo[2,1-a]isoquinoline
CID 115051768
3-bromo-7-methoxy-8-methylimidazo[1,2-a]pyridine
CID 130064778
1,5-dimethylnaphthalene
CID 162159355
2,7-dimethylimidazo[2,1-a]isoquinoline-3-carbaldehyde
CID 115034432
12-tert-butyl-6-methyl-10,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene
CID 70651807
3,5-dibromoimidazo[1,2-f]phenanthridine
CID 118915715
1-(7-hydroxyimidazo[2,1-a]isoquinolin-3-yl)ethanone
CID 115035417
(3-bromo-8-fluoroimidazo[1,2-a]pyridin-7-yl)methanol
CID 130065270
N-(3-bromoimidazo[1,2-a]pyridin-8-yl)acetamide
CID 46838754
(3-bromoimidazo[1,2-a]pyridin-8-yl)methanamine
CID 82618151
3-bromo-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene
CID 140950358
6-methyl-3-(5-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine
CID 166824971

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methylimidazo[2,1-a]isoquinoline?
The IUPAC name of 3-bromo-7-methylimidazo[2,1-a]isoquinoline (CID 115048749) is 3-bromo-7-methylimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 3-bromo-7-methylimidazo[2,1-a]isoquinoline?
The canonical SMILES for 3-bromo-7-methylimidazo[2,1-a]isoquinoline is Cc1cccc2c1ccn1c(Br)cnc21.
What is the InChIKey of 3-bromo-7-methylimidazo[2,1-a]isoquinoline?
The InChIKey is OKMDFMXVCRPFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2/c1-8-3-2-4-10-9(8)5-6-15-11(13)7-14-12(10)15/h2-7H,1H3.
What are the key properties of 3-bromo-7-methylimidazo[2,1-a]isoquinoline?
3-bromo-7-methylimidazo[2,1-a]isoquinoline has a molecular weight of 261.12 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-methylimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 115048749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).