3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

C20H21NO — CID 134034276

IUPAC3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESO=C(C1CCCc2ccccc21)N1CCc2ccccc2C1
InChIInChI=1S/C20H21NO/c22-20(19-11-5-9-16-7-3-4-10-18(16)19)21-13-12-15-6-1-2-8-17(15)14-21/h1-4,6-8,10,19H,5,9,11-14H2
InChIKeyBHXIVAWUXYCFGJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.69
Rot. Bonds1

About 3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (PubChem CID 134034276) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
PubChem CID134034276
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESO=C(C1CCCc2ccccc21)N1CCc2ccccc2C1
InChIInChI=1S/C20H21NO/c22-20(19-11-5-9-16-7-3-4-10-18(16)19)21-13-12-15-6-1-2-8-17(15)14-21/h1-4,6-8,10,19H,5,9,11-14H2
InChIKeyBHXIVAWUXYCFGJ-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (CID 134034276) is 3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is O=C(C1CCCc2ccccc21)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The InChIKey is BHXIVAWUXYCFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c22-20(19-11-5-9-16-7-3-4-10-18(16)19)21-13-12-15-6-1-2-8-17(15)14-21/h1-4,6-8,10,19H,5,9,11-14H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone has a molecular weight of 291.39 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is sourced from PubChem (CID 134034276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).