6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline

C19H18N2 — CID 68998740

IUPAC6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline
SMILESCN1Cc2ccccc2C(c2ccc3ncccc3c2)C1
InChIInChI=1S/C19H18N2/c1-21-12-16-5-2-3-7-17(16)18(13-21)14-8-9-19-15(11-14)6-4-10-20-19/h2-11,18H,12-13H2,1H3
InChIKeyWXJVSDNWZOTTOK-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.81
Rot. Bonds1

About 6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline

6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline (PubChem CID 68998740) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline.

Molecular Properties

Compound Name6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline
PubChem CID68998740
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline
SMILESCN1Cc2ccccc2C(c2ccc3ncccc3c2)C1
InChIInChI=1S/C19H18N2/c1-21-12-16-5-2-3-7-17(16)18(13-21)14-8-9-19-15(11-14)6-4-10-20-19/h2-11,18H,12-13H2,1H3
InChIKeyWXJVSDNWZOTTOK-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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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline?
The IUPAC name of 6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline (CID 68998740) is 6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline.
What is the SMILES notation for 6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline?
The canonical SMILES for 6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline is CN1Cc2ccccc2C(c2ccc3ncccc3c2)C1.
What is the InChIKey of 6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline?
The InChIKey is WXJVSDNWZOTTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-21-12-16-5-2-3-7-17(16)18(13-21)14-8-9-19-15(11-14)6-4-10-20-19/h2-11,18H,12-13H2,1H3.
What are the key properties of 6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline?
6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline 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 6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline is sourced from PubChem (CID 68998740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).