8-(2-isoquinolin-5-ylpropan-2-yl)-3-propan-2-ylquinoline

C24H24N2 — CID 129214041

IUPAC8-(2-isoquinolin-5-ylpropan-2-yl)-3-propan-2-ylquinoline
SMILESCC(C)c1cnc2c(C(C)(C)c3cccc4cnccc34)cccc2c1
InChIInChI=1S/C24H24N2/c1-16(2)19-13-17-7-5-10-22(23(17)26-15-19)24(3,4)21-9-6-8-18-14-25-12-11-20(18)21/h5-16H,1-4H3
InChIKeyWRKKNVOJZQXJJO-UHFFFAOYSA-N
MW340.47 g/mol
LogP6.23
Rot. Bonds3

About 8-(2-isoquinolin-5-ylpropan-2-yl)-3-propan-2-ylquinoline

8-(2-isoquinolin-5-ylpropan-2-yl)-3-propan-2-ylquinoline (PubChem CID 129214041) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 8-(2-isoquinolin-5-ylpropan-2-yl)-3-propan-2-ylquinoline.

Molecular Properties

Compound Name8-(2-isoquinolin-5-ylpropan-2-yl)-3-propan-2-ylquinoline
PubChem CID129214041
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name8-(2-isoquinolin-5-ylpropan-2-yl)-3-propan-2-ylquinoline
SMILESCC(C)c1cnc2c(C(C)(C)c3cccc4cnccc34)cccc2c1
InChIInChI=1S/C24H24N2/c1-16(2)19-13-17-7-5-10-22(23(17)26-15-19)24(3,4)21-9-6-8-18-14-25-12-11-20(18)21/h5-16H,1-4H3
InChIKeyWRKKNVOJZQXJJO-UHFFFAOYSA-N
XLogP6.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(2-isoquinolin-5-ylpropan-2-yl)-3-propan-2-ylquinoline 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

5-(2-methylpropan-2-yl)isoquinoline
CID 140752931
2-isoquinolin-5-yl-3-methylbutan-2-amine
CID 62811791
3-propan-2-ylquinolin-8-amine
CID 170777119
2-isoquinolin-5-yl-2-methylpropan-1-amine
CID 81020773
2-isoquinolin-5-yl-3-methylpentan-2-ol
CID 62813485
3-isoquinolin-5-yl-2-methylpentan-3-amine
CID 55119232
2-fluoro-2-isoquinolin-5-ylpropan-1-amine
CID 112565254
1-(tert-butylamino)-2-isoquinolin-5-ylpropan-2-ol
CID 66038703
N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine
CID 43229360
N-tert-butyl-3-isoquinolin-5-yl-3-methylbutan-1-amine
CID 81033755
1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine
CID 62813146
1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol
CID 62811615

Frequently Asked Questions

What is the IUPAC name of 8-(2-isoquinolin-5-ylpropan-2-yl)-3-propan-2-ylquinoline?
The IUPAC name of 8-(2-isoquinolin-5-ylpropan-2-yl)-3-propan-2-ylquinoline (CID 129214041) is 8-(2-isoquinolin-5-ylpropan-2-yl)-3-propan-2-ylquinoline.
What is the SMILES notation for 8-(2-isoquinolin-5-ylpropan-2-yl)-3-propan-2-ylquinoline?
The canonical SMILES for 8-(2-isoquinolin-5-ylpropan-2-yl)-3-propan-2-ylquinoline is CC(C)c1cnc2c(C(C)(C)c3cccc4cnccc34)cccc2c1.
What is the InChIKey of 8-(2-isoquinolin-5-ylpropan-2-yl)-3-propan-2-ylquinoline?
The InChIKey is WRKKNVOJZQXJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-16(2)19-13-17-7-5-10-22(23(17)26-15-19)24(3,4)21-9-6-8-18-14-25-12-11-20(18)21/h5-16H,1-4H3.
What are the key properties of 8-(2-isoquinolin-5-ylpropan-2-yl)-3-propan-2-ylquinoline?
8-(2-isoquinolin-5-ylpropan-2-yl)-3-propan-2-ylquinoline has a molecular weight of 340.47 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-isoquinolin-5-ylpropan-2-yl)-3-propan-2-ylquinoline is sourced from PubChem (CID 129214041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).