2-(9-chloroimidazo[2,1-a]isoquinolin-3-yl)ethanamine

C13H12ClN3 — CID 115045677

IUPAC2-(9-chloroimidazo[2,1-a]isoquinolin-3-yl)ethanamine
SMILESNCCc1cnc2c3cc(Cl)ccc3ccn12
InChIInChI=1S/C13H12ClN3/c14-10-2-1-9-4-6-17-11(3-5-15)8-16-13(17)12(9)7-10/h1-2,4,6-8H,3,5,15H2
InChIKeyGZWJPAVVRLZJAZ-UHFFFAOYSA-N
MW245.71 g/mol
LogP2.64
Rot. Bonds2

About 2-(9-chloroimidazo[2,1-a]isoquinolin-3-yl)ethanamine

2-(9-chloroimidazo[2,1-a]isoquinolin-3-yl)ethanamine (PubChem CID 115045677) has the molecular formula C13H12ClN3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-(9-chloroimidazo[2,1-a]isoquinolin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(9-chloroimidazo[2,1-a]isoquinolin-3-yl)ethanamine
PubChem CID115045677
Molecular FormulaC13H12ClN3
Molecular Weight245.71 g/mol
Exact Mass245.07
IUPAC Name2-(9-chloroimidazo[2,1-a]isoquinolin-3-yl)ethanamine
SMILESNCCc1cnc2c3cc(Cl)ccc3ccn12
InChIInChI=1S/C13H12ClN3/c14-10-2-1-9-4-6-17-11(3-5-15)8-16-13(17)12(9)7-10/h1-2,4,6-8H,3,5,15H2
InChIKeyGZWJPAVVRLZJAZ-UHFFFAOYSA-N
XLogP2.64
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-methoxyimidazo[2,1-a]isoquinolin-3-yl)ethanamine
CID 115044237
3-(2-aminoethyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine
CID 83882109
(8-chloroimidazo[1,2-a]pyridin-3-yl)methanamine
CID 55266455
3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline
CID 58517919
7-chloro-3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 117256539
2-[8-[(2,5-dimethylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 15280862
2-(6-chloroimidazo[1,5-a]pyridin-3-yl)ethanamine
CID 83869580
[8-[(3-chlorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]methanamine
CID 82056319
9-chloroimidazo[2,1-a]isoquinoline-2-carboxylic acid
CID 115045910
(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)methanamine
CID 82069649
3-(2-aminoethyl)-6-chloro-N,N,2-trimethylquinolin-4-amine
CID 82246617
(8-chloroimidazo[2,1-a]isoquinolin-2-yl)methanamine
CID 115038584

Frequently Asked Questions

What is the IUPAC name of 2-(9-chloroimidazo[2,1-a]isoquinolin-3-yl)ethanamine?
The IUPAC name of 2-(9-chloroimidazo[2,1-a]isoquinolin-3-yl)ethanamine (CID 115045677) is 2-(9-chloroimidazo[2,1-a]isoquinolin-3-yl)ethanamine.
What is the SMILES notation for 2-(9-chloroimidazo[2,1-a]isoquinolin-3-yl)ethanamine?
The canonical SMILES for 2-(9-chloroimidazo[2,1-a]isoquinolin-3-yl)ethanamine is NCCc1cnc2c3cc(Cl)ccc3ccn12.
What is the InChIKey of 2-(9-chloroimidazo[2,1-a]isoquinolin-3-yl)ethanamine?
The InChIKey is GZWJPAVVRLZJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3/c14-10-2-1-9-4-6-17-11(3-5-15)8-16-13(17)12(9)7-10/h1-2,4,6-8H,3,5,15H2.
What are the key properties of 2-(9-chloroimidazo[2,1-a]isoquinolin-3-yl)ethanamine?
2-(9-chloroimidazo[2,1-a]isoquinolin-3-yl)ethanamine has a molecular weight of 245.71 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-chloroimidazo[2,1-a]isoquinolin-3-yl)ethanamine is sourced from PubChem (CID 115045677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).