(2-methylimidazo[2,1-a]isoquinolin-3-yl)methanamine

C13H13N3 — CID 115027407

IUPAC(2-methylimidazo[2,1-a]isoquinolin-3-yl)methanamine
SMILESCc1nc2c3ccccc3ccn2c1CN
InChIInChI=1S/C13H13N3/c1-9-12(8-14)16-7-6-10-4-2-3-5-11(10)13(16)15-9/h2-7H,8,14H2,1H3
InChIKeyOPLVOEQRGIJOHB-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.25
Rot. Bonds1

About (2-methylimidazo[2,1-a]isoquinolin-3-yl)methanamine

(2-methylimidazo[2,1-a]isoquinolin-3-yl)methanamine (PubChem CID 115027407) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is (2-methylimidazo[2,1-a]isoquinolin-3-yl)methanamine.

Molecular Properties

Compound Name(2-methylimidazo[2,1-a]isoquinolin-3-yl)methanamine
PubChem CID115027407
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name(2-methylimidazo[2,1-a]isoquinolin-3-yl)methanamine
SMILESCc1nc2c3ccccc3ccn2c1CN
InChIInChI=1S/C13H13N3/c1-9-12(8-14)16-7-6-10-4-2-3-5-11(10)13(16)15-9/h2-7H,8,14H2,1H3
InChIKeyOPLVOEQRGIJOHB-UHFFFAOYSA-N
XLogP2.25
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-phenylimidazo[2,1-a]isoquinoline
CID 58517681
3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinolin-2-amine
CID 141154399
3-bromo-2-methylpyrimido[2,1-a]isoquinolin-4-one
CID 12664177
3-methyl-2-phenylimidazo[2,1-a]isoquinoline
CID 757851
benzimidazolo[2,1-a]isoquinoline;ethane
CID 156745272
2,3,4-trimethylpyrimido[2,1-a]isoindole
CID 23265241
2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline
CID 3615651
ethyl 2-hydroxy-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate
CID 137251410
2-O-ethyl 3-O-methyl imidazo[2,1-a]isoquinoline-2,3-dicarboxylate
CID 155927218
3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline
CID 51359368
[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 65041191
3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline
CID 51359837

Frequently Asked Questions

What is the IUPAC name of (2-methylimidazo[2,1-a]isoquinolin-3-yl)methanamine?
The IUPAC name of (2-methylimidazo[2,1-a]isoquinolin-3-yl)methanamine (CID 115027407) is (2-methylimidazo[2,1-a]isoquinolin-3-yl)methanamine.
What is the SMILES notation for (2-methylimidazo[2,1-a]isoquinolin-3-yl)methanamine?
The canonical SMILES for (2-methylimidazo[2,1-a]isoquinolin-3-yl)methanamine is Cc1nc2c3ccccc3ccn2c1CN.
What is the InChIKey of (2-methylimidazo[2,1-a]isoquinolin-3-yl)methanamine?
The InChIKey is OPLVOEQRGIJOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-9-12(8-14)16-7-6-10-4-2-3-5-11(10)13(16)15-9/h2-7H,8,14H2,1H3.
What are the key properties of (2-methylimidazo[2,1-a]isoquinolin-3-yl)methanamine?
(2-methylimidazo[2,1-a]isoquinolin-3-yl)methanamine has a molecular weight of 211.27 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylimidazo[2,1-a]isoquinolin-3-yl)methanamine is sourced from PubChem (CID 115027407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).