3-[(4-methoxy-2-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline

C23H24N2O — CID 51360029

IUPAC3-[(4-methoxy-2-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline
SMILESCCCc1nc2c3ccccc3ccn2c1Cc1ccc(OC)cc1C
InChIInChI=1S/C23H24N2O/c1-4-7-21-22(15-18-10-11-19(26-3)14-16(18)2)25-13-12-17-8-5-6-9-20(17)23(25)24-21/h5-6,8-14H,4,7,15H2,1-3H3
InChIKeyDPSPXLGYKOHREV-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.35
Rot. Bonds5

About 3-[(4-methoxy-2-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline

3-[(4-methoxy-2-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline (PubChem CID 51360029) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-[(4-methoxy-2-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-[(4-methoxy-2-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline
PubChem CID51360029
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name3-[(4-methoxy-2-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline
SMILESCCCc1nc2c3ccccc3ccn2c1Cc1ccc(OC)cc1C
InChIInChI=1S/C23H24N2O/c1-4-7-21-22(15-18-10-11-19(26-3)14-16(18)2)25-13-12-17-8-5-6-9-20(17)23(25)24-21/h5-6,8-14H,4,7,15H2,1-3H3
InChIKeyDPSPXLGYKOHREV-UHFFFAOYSA-N
XLogP5.35
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(4-methoxy-2-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-2-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline?
The IUPAC name of 3-[(4-methoxy-2-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline (CID 51360029) is 3-[(4-methoxy-2-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 3-[(4-methoxy-2-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline?
The canonical SMILES for 3-[(4-methoxy-2-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline is CCCc1nc2c3ccccc3ccn2c1Cc1ccc(OC)cc1C.
What is the InChIKey of 3-[(4-methoxy-2-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline?
The InChIKey is DPSPXLGYKOHREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-4-7-21-22(15-18-10-11-19(26-3)14-16(18)2)25-13-12-17-8-5-6-9-20(17)23(25)24-21/h5-6,8-14H,4,7,15H2,1-3H3.
What are the key properties of 3-[(4-methoxy-2-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline?
3-[(4-methoxy-2-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline has a molecular weight of 344.46 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-2-methylphenyl)methyl]-2-propylimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 51360029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).