5-(naphthalen-1-ylmethoxy)-3,4-dihydro-2H-isoquinolin-1-one

C20H17NO2 — CID 8670188

IUPAC5-(naphthalen-1-ylmethoxy)-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2c(OCc3cccc4ccccc34)cccc21
InChIInChI=1S/C20H17NO2/c22-20-18-9-4-10-19(17(18)11-12-21-20)23-13-15-7-3-6-14-5-1-2-8-16(14)15/h1-10H,11-13H2,(H,21,22)
InChIKeyUBLBVOZCPSLKBE-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.70
Rot. Bonds3

About 5-(naphthalen-1-ylmethoxy)-3,4-dihydro-2H-isoquinolin-1-one

5-(naphthalen-1-ylmethoxy)-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 8670188) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-(naphthalen-1-ylmethoxy)-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name5-(naphthalen-1-ylmethoxy)-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID8670188
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name5-(naphthalen-1-ylmethoxy)-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2c(OCc3cccc4ccccc34)cccc21
InChIInChI=1S/C20H17NO2/c22-20-18-9-4-10-19(17(18)11-12-21-20)23-13-15-7-3-6-14-5-1-2-8-16(14)15/h1-10H,11-13H2,(H,21,22)
InChIKeyUBLBVOZCPSLKBE-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-ylmethoxy)-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 5-(naphthalen-1-ylmethoxy)-3,4-dihydro-2H-isoquinolin-1-one (CID 8670188) is 5-(naphthalen-1-ylmethoxy)-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 5-(naphthalen-1-ylmethoxy)-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 5-(naphthalen-1-ylmethoxy)-3,4-dihydro-2H-isoquinolin-1-one is O=C1NCCc2c(OCc3cccc4ccccc34)cccc21.
What is the InChIKey of 5-(naphthalen-1-ylmethoxy)-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is UBLBVOZCPSLKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c22-20-18-9-4-10-19(17(18)11-12-21-20)23-13-15-7-3-6-14-5-1-2-8-16(14)15/h1-10H,11-13H2,(H,21,22).
What are the key properties of 5-(naphthalen-1-ylmethoxy)-3,4-dihydro-2H-isoquinolin-1-one?
5-(naphthalen-1-ylmethoxy)-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 303.36 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-ylmethoxy)-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 8670188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).