6-propan-2-yl-1-(3-propan-2-ylphenyl)isoquinoline

C21H23N — CID 149405285

IUPAC6-propan-2-yl-1-(3-propan-2-ylphenyl)isoquinoline
SMILESCC(C)c1cccc(-c2nccc3cc(C(C)C)ccc23)c1
InChIInChI=1S/C21H23N/c1-14(2)16-6-5-7-19(13-16)21-20-9-8-17(15(3)4)12-18(20)10-11-22-21/h5-15H,1-4H3
InChIKeyYQECPNSWYJGLEV-UHFFFAOYSA-N
MW289.42 g/mol
LogP6.15
Rot. Bonds3

About 6-propan-2-yl-1-(3-propan-2-ylphenyl)isoquinoline

6-propan-2-yl-1-(3-propan-2-ylphenyl)isoquinoline (PubChem CID 149405285) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 6-propan-2-yl-1-(3-propan-2-ylphenyl)isoquinoline.

Molecular Properties

Compound Name6-propan-2-yl-1-(3-propan-2-ylphenyl)isoquinoline
PubChem CID149405285
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name6-propan-2-yl-1-(3-propan-2-ylphenyl)isoquinoline
SMILESCC(C)c1cccc(-c2nccc3cc(C(C)C)ccc23)c1
InChIInChI=1S/C21H23N/c1-14(2)16-6-5-7-19(13-16)21-20-9-8-17(15(3)4)12-18(20)10-11-22-21/h5-15H,1-4H3
InChIKeyYQECPNSWYJGLEV-UHFFFAOYSA-N
XLogP6.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-propan-2-yl-1-(3-propan-2-ylphenyl)isoquinoline 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

6-butan-2-yl-1-(3-phenylphenyl)isoquinoline
CID 153437056
5-propan-2-yl-8-(6-propan-2-ylisoquinolin-1-yl)phenanthridin-5-ium
CID 167320648
1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline
CID 121282910
1-(3,5-dimethylphenyl)-6-(1,1,1-trideuteriopropan-2-yl)isoquinoline
CID 158566063
6-propan-2-yl-1-(4-propan-2-ylphenanthren-2-yl)isoquinoline
CID 170661018
6-propan-2-yl-1-(2,3,5-trimethylphenyl)isoquinoline
CID 130343559
6-propan-2-yl-1-(3-thiapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2(6),4,7,9,11,13,15,17,19,21-undecaen-4-yl)isoquinoline
CID 168811469
1-(10,10-dimethyl-4-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)-6-propan-2-ylisoquinoline
CID 140693449
1,6-di(propan-2-yl)naphthalene
CID 3016596
1-(2-methyl-5-propan-2-yl-1-benzofuran-7-yl)-6-propan-2-ylisoquinoline
CID 167259543
1-methyl-6-propan-2-ylnaphthalene
CID 58126565
1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline
CID 122426440

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1-(3-propan-2-ylphenyl)isoquinoline?
The IUPAC name of 6-propan-2-yl-1-(3-propan-2-ylphenyl)isoquinoline (CID 149405285) is 6-propan-2-yl-1-(3-propan-2-ylphenyl)isoquinoline.
What is the SMILES notation for 6-propan-2-yl-1-(3-propan-2-ylphenyl)isoquinoline?
The canonical SMILES for 6-propan-2-yl-1-(3-propan-2-ylphenyl)isoquinoline is CC(C)c1cccc(-c2nccc3cc(C(C)C)ccc23)c1.
What is the InChIKey of 6-propan-2-yl-1-(3-propan-2-ylphenyl)isoquinoline?
The InChIKey is YQECPNSWYJGLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-14(2)16-6-5-7-19(13-16)21-20-9-8-17(15(3)4)12-18(20)10-11-22-21/h5-15H,1-4H3.
What are the key properties of 6-propan-2-yl-1-(3-propan-2-ylphenyl)isoquinoline?
6-propan-2-yl-1-(3-propan-2-ylphenyl)isoquinoline has a molecular weight of 289.42 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1-(3-propan-2-ylphenyl)isoquinoline is sourced from PubChem (CID 149405285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).