N-ethyl-2-(3-methylphenyl)-N-propylimidazo[2,1-a]isoquinolin-3-amine

C23H25N3 — CID 18691222

IUPACN-ethyl-2-(3-methylphenyl)-N-propylimidazo[2,1-a]isoquinolin-3-amine
SMILESCCCN(CC)c1c(-c2cccc(C)c2)nc2c3ccccc3ccn12
InChIInChI=1S/C23H25N3/c1-4-14-25(5-2)23-21(19-11-8-9-17(3)16-19)24-22-20-12-7-6-10-18(20)13-15-26(22)23/h6-13,15-16H,4-5,14H2,1-3H3
InChIKeyJSSRDCSOXKZPQL-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.70
Rot. Bonds5

About N-ethyl-2-(3-methylphenyl)-N-propylimidazo[2,1-a]isoquinolin-3-amine

N-ethyl-2-(3-methylphenyl)-N-propylimidazo[2,1-a]isoquinolin-3-amine (PubChem CID 18691222) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-ethyl-2-(3-methylphenyl)-N-propylimidazo[2,1-a]isoquinolin-3-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methylphenyl)-N-propylimidazo[2,1-a]isoquinolin-3-amine
PubChem CID18691222
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC NameN-ethyl-2-(3-methylphenyl)-N-propylimidazo[2,1-a]isoquinolin-3-amine
SMILESCCCN(CC)c1c(-c2cccc(C)c2)nc2c3ccccc3ccn12
InChIInChI=1S/C23H25N3/c1-4-14-25(5-2)23-21(19-11-8-9-17(3)16-19)24-22-20-12-7-6-10-18(20)13-15-26(22)23/h6-13,15-16H,4-5,14H2,1-3H3
InChIKeyJSSRDCSOXKZPQL-UHFFFAOYSA-N
XLogP5.70
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylphenyl)-N-propylimidazo[2,1-a]isoquinolin-3-amine?
The IUPAC name of N-ethyl-2-(3-methylphenyl)-N-propylimidazo[2,1-a]isoquinolin-3-amine (CID 18691222) is N-ethyl-2-(3-methylphenyl)-N-propylimidazo[2,1-a]isoquinolin-3-amine.
What is the SMILES notation for N-ethyl-2-(3-methylphenyl)-N-propylimidazo[2,1-a]isoquinolin-3-amine?
The canonical SMILES for N-ethyl-2-(3-methylphenyl)-N-propylimidazo[2,1-a]isoquinolin-3-amine is CCCN(CC)c1c(-c2cccc(C)c2)nc2c3ccccc3ccn12.
What is the InChIKey of N-ethyl-2-(3-methylphenyl)-N-propylimidazo[2,1-a]isoquinolin-3-amine?
The InChIKey is JSSRDCSOXKZPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3/c1-4-14-25(5-2)23-21(19-11-8-9-17(3)16-19)24-22-20-12-7-6-10-18(20)13-15-26(22)23/h6-13,15-16H,4-5,14H2,1-3H3.
What are the key properties of N-ethyl-2-(3-methylphenyl)-N-propylimidazo[2,1-a]isoquinolin-3-amine?
N-ethyl-2-(3-methylphenyl)-N-propylimidazo[2,1-a]isoquinolin-3-amine has a molecular weight of 343.47 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylphenyl)-N-propylimidazo[2,1-a]isoquinolin-3-amine is sourced from PubChem (CID 18691222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).