(8-chloroimidazo[2,1-a]isoquinolin-2-yl)methanamine

C12H10ClN3 — CID 115038584

IUPAC(8-chloroimidazo[2,1-a]isoquinolin-2-yl)methanamine
SMILESNCc1cn2ccc3cc(Cl)ccc3c2n1
InChIInChI=1S/C12H10ClN3/c13-9-1-2-11-8(5-9)3-4-16-7-10(6-14)15-12(11)16/h1-5,7H,6,14H2
InChIKeyDADAZQTXUSETAM-UHFFFAOYSA-N
MW231.69 g/mol
LogP2.60
Rot. Bonds1

About (8-chloroimidazo[2,1-a]isoquinolin-2-yl)methanamine

(8-chloroimidazo[2,1-a]isoquinolin-2-yl)methanamine (PubChem CID 115038584) has the molecular formula C12H10ClN3 and a molecular weight of 231.69 g/mol. Its IUPAC name is (8-chloroimidazo[2,1-a]isoquinolin-2-yl)methanamine.

Molecular Properties

Compound Name(8-chloroimidazo[2,1-a]isoquinolin-2-yl)methanamine
PubChem CID115038584
Molecular FormulaC12H10ClN3
Molecular Weight231.69 g/mol
Exact Mass231.06
IUPAC Name(8-chloroimidazo[2,1-a]isoquinolin-2-yl)methanamine
SMILESNCc1cn2ccc3cc(Cl)ccc3c2n1
InChIInChI=1S/C12H10ClN3/c13-9-1-2-11-8(5-9)3-4-16-7-10(6-14)15-12(11)16/h1-5,7H,6,14H2
InChIKeyDADAZQTXUSETAM-UHFFFAOYSA-N
XLogP2.60
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8-chloroimidazo[2,1-a]isoquinolin-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8-bromoimidazo[2,1-a]isoquinolin-2-yl)methanamine
CID 115051046
9-chloroimidazo[2,1-a]isoquinoline-2-carboxylic acid
CID 115045910
2-(3-chlorophenyl)imidazo[2,1-a]isoquinoline
CID 13156067
(8-methylimidazo[1,2-a]pyridin-2-yl)methanamine;dihydrochloride
CID 50988319
2,6-dichlorophenanthrene
CID 123290984
[4-(7-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]methanamine
CID 82343156
8-chloro-2-[(4-chlorophenyl)methyl]imidazo[1,2-a]pyridine
CID 117137468
(6-chloro-1,3-dimethylindol-2-yl)methanamine
CID 84621214
7-chloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one
CID 17456627
2-(7-chloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide
CID 82343240
2-[(3-chlorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine
CID 117137235
(6-chloro-8-methoxyimidazo[1,2-a]pyrazin-2-yl)methanamine
CID 84679332

Frequently Asked Questions

What is the IUPAC name of (8-chloroimidazo[2,1-a]isoquinolin-2-yl)methanamine?
The IUPAC name of (8-chloroimidazo[2,1-a]isoquinolin-2-yl)methanamine (CID 115038584) is (8-chloroimidazo[2,1-a]isoquinolin-2-yl)methanamine.
What is the SMILES notation for (8-chloroimidazo[2,1-a]isoquinolin-2-yl)methanamine?
The canonical SMILES for (8-chloroimidazo[2,1-a]isoquinolin-2-yl)methanamine is NCc1cn2ccc3cc(Cl)ccc3c2n1.
What is the InChIKey of (8-chloroimidazo[2,1-a]isoquinolin-2-yl)methanamine?
The InChIKey is DADAZQTXUSETAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3/c13-9-1-2-11-8(5-9)3-4-16-7-10(6-14)15-12(11)16/h1-5,7H,6,14H2.
What are the key properties of (8-chloroimidazo[2,1-a]isoquinolin-2-yl)methanamine?
(8-chloroimidazo[2,1-a]isoquinolin-2-yl)methanamine has a molecular weight of 231.69 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloroimidazo[2,1-a]isoquinolin-2-yl)methanamine is sourced from PubChem (CID 115038584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).