3-(aminomethyl)imidazo[2,1-a]isoquinolin-10-ol

C12H11N3O — CID 136982186

IUPAC3-(aminomethyl)imidazo[2,1-a]isoquinolin-10-ol
SMILESNCc1cnc2c3c(O)cccc3ccn12
InChIInChI=1S/C12H11N3O/c13-6-9-7-14-12-11-8(4-5-15(9)12)2-1-3-10(11)16/h1-5,7,16H,6,13H2
InChIKeyJCCXIRZIPCHICA-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.65
Rot. Bonds1

About 3-(aminomethyl)imidazo[2,1-a]isoquinolin-10-ol

3-(aminomethyl)imidazo[2,1-a]isoquinolin-10-ol (PubChem CID 136982186) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(aminomethyl)imidazo[2,1-a]isoquinolin-10-ol.

Molecular Properties

Compound Name3-(aminomethyl)imidazo[2,1-a]isoquinolin-10-ol
PubChem CID136982186
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name3-(aminomethyl)imidazo[2,1-a]isoquinolin-10-ol
SMILESNCc1cnc2c3c(O)cccc3ccn12
InChIInChI=1S/C12H11N3O/c13-6-9-7-14-12-11-8(4-5-15(9)12)2-1-3-10(11)16/h1-5,7,16H,6,13H2
InChIKeyJCCXIRZIPCHICA-UHFFFAOYSA-N
XLogP1.65
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)imidazo[2,1-a]isoquinolin-10-ol?
The IUPAC name of 3-(aminomethyl)imidazo[2,1-a]isoquinolin-10-ol (CID 136982186) is 3-(aminomethyl)imidazo[2,1-a]isoquinolin-10-ol.
What is the SMILES notation for 3-(aminomethyl)imidazo[2,1-a]isoquinolin-10-ol?
The canonical SMILES for 3-(aminomethyl)imidazo[2,1-a]isoquinolin-10-ol is NCc1cnc2c3c(O)cccc3ccn12.
What is the InChIKey of 3-(aminomethyl)imidazo[2,1-a]isoquinolin-10-ol?
The InChIKey is JCCXIRZIPCHICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-6-9-7-14-12-11-8(4-5-15(9)12)2-1-3-10(11)16/h1-5,7,16H,6,13H2.
What are the key properties of 3-(aminomethyl)imidazo[2,1-a]isoquinolin-10-ol?
3-(aminomethyl)imidazo[2,1-a]isoquinolin-10-ol has a molecular weight of 213.24 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)imidazo[2,1-a]isoquinolin-10-ol is sourced from PubChem (CID 136982186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).