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

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Related Compounds

7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline
CID 129385280
(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 129384739
6-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline
CID 129394089
7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline
CID 129394657
6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoxaline
CID 68996107
4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995503
4-(1-benzylindazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68996964
2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 68995347
4-indolizin-7-yl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995695
4-indolizin-6-yl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 11615894
2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 68993738
2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 68996731

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).