7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline

C19H18N2 — CID 68998146

IUPAC7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline
SMILESCN1Cc2ccccc2C(c2ccc3ccncc3c2)C1
InChIInChI=1S/C19H18N2/c1-21-12-16-4-2-3-5-18(16)19(13-21)15-7-6-14-8-9-20-11-17(14)10-15/h2-11,19H,12-13H2,1H3
InChIKeyRZAMZNWSJJJJJJ-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.81
Rot. Bonds1

About 7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline

7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline (PubChem CID 68998146) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline.

Molecular Properties

Compound Name7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline
PubChem CID68998146
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline
SMILESCN1Cc2ccccc2C(c2ccc3ccncc3c2)C1
InChIInChI=1S/C19H18N2/c1-21-12-16-4-2-3-5-18(16)19(13-21)15-7-6-14-8-9-20-11-17(14)10-15/h2-11,19H,12-13H2,1H3
InChIKeyRZAMZNWSJJJJJJ-UHFFFAOYSA-N
XLogP3.81
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)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

Azatadine
CID 19861
Isoquinoline
CID 8405
Lauryl Isoquinolinium Bromide
CID 7132
3-Methylisoquinoline
CID 14306
4-(4-Dimethylaminostyryl)quinoline
CID 668053
3-Benzhydrylpyridine
CID 77251
Benzo(h)quinoline
CID 9191
4-Benzhydrylpyridine
CID 77252
Cryptocyanin
CID 5351156
4-Chlorobenzo(f)isoquinoline
CID 11401613
Benzylviologen
CID 14196
3-Phenylisoquinoline
CID 609614

Frequently Asked Questions

What is the IUPAC name of 7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline?
The IUPAC name of 7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline (CID 68998146) is 7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline.
What is the SMILES notation for 7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline?
The canonical SMILES for 7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline is CN1Cc2ccccc2C(c2ccc3ccncc3c2)C1.
What is the InChIKey of 7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline?
The InChIKey is RZAMZNWSJJJJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-21-12-16-4-2-3-5-18(16)19(13-21)15-7-6-14-8-9-20-11-17(14)10-15/h2-11,19H,12-13H2,1H3.
What are the key properties of 7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline?
7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline has a molecular weight of 274.37 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline is sourced from PubChem (CID 68998146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).