1-(8-bromoimidazo[2,1-a]isoquinolin-6-yl)-N-methylmethanamine

C13H12BrN3 — CID 178046632

IUPAC1-(8-bromoimidazo[2,1-a]isoquinolin-6-yl)-N-methylmethanamine
SMILESCNCc1cn2ccnc2c2ccc(Br)cc12
InChIInChI=1S/C13H12BrN3/c1-15-7-9-8-17-5-4-16-13(17)11-3-2-10(14)6-12(9)11/h2-6,8,15H,7H2,1H3
InChIKeyCOFABEDZJHHBCT-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.97
Rot. Bonds2

About 1-(8-bromoimidazo[2,1-a]isoquinolin-6-yl)-N-methylmethanamine

1-(8-bromoimidazo[2,1-a]isoquinolin-6-yl)-N-methylmethanamine (PubChem CID 178046632) has the molecular formula C13H12BrN3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 1-(8-bromoimidazo[2,1-a]isoquinolin-6-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(8-bromoimidazo[2,1-a]isoquinolin-6-yl)-N-methylmethanamine
PubChem CID178046632
Molecular FormulaC13H12BrN3
Molecular Weight290.16 g/mol
Exact Mass289.02
IUPAC Name1-(8-bromoimidazo[2,1-a]isoquinolin-6-yl)-N-methylmethanamine
SMILESCNCc1cn2ccnc2c2ccc(Br)cc12
InChIInChI=1S/C13H12BrN3/c1-15-7-9-8-17-5-4-16-13(17)11-3-2-10(14)6-12(9)11/h2-6,8,15H,7H2,1H3
InChIKeyCOFABEDZJHHBCT-UHFFFAOYSA-N
XLogP2.97
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-bromoimidazo[2,1-a]isoquinolin-6-yl)-N-methylmethanamine?
The IUPAC name of 1-(8-bromoimidazo[2,1-a]isoquinolin-6-yl)-N-methylmethanamine (CID 178046632) is 1-(8-bromoimidazo[2,1-a]isoquinolin-6-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(8-bromoimidazo[2,1-a]isoquinolin-6-yl)-N-methylmethanamine?
The canonical SMILES for 1-(8-bromoimidazo[2,1-a]isoquinolin-6-yl)-N-methylmethanamine is CNCc1cn2ccnc2c2ccc(Br)cc12.
What is the InChIKey of 1-(8-bromoimidazo[2,1-a]isoquinolin-6-yl)-N-methylmethanamine?
The InChIKey is COFABEDZJHHBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3/c1-15-7-9-8-17-5-4-16-13(17)11-3-2-10(14)6-12(9)11/h2-6,8,15H,7H2,1H3.
What are the key properties of 1-(8-bromoimidazo[2,1-a]isoquinolin-6-yl)-N-methylmethanamine?
1-(8-bromoimidazo[2,1-a]isoquinolin-6-yl)-N-methylmethanamine has a molecular weight of 290.16 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromoimidazo[2,1-a]isoquinolin-6-yl)-N-methylmethanamine is sourced from PubChem (CID 178046632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).