2-(2,3-dihydroisoquinolin-3-yl)chromen-4-one

C18H13NO2 — CID 90378683

IUPAC2-(2,3-dihydroisoquinolin-3-yl)chromen-4-one
SMILESO=c1cc(C2C=c3ccccc3=CN2)oc2ccccc12
InChIInChI=1S/C18H13NO2/c20-16-10-18(21-17-8-4-3-7-14(16)17)15-9-12-5-1-2-6-13(12)11-19-15/h1-11,15,19H
InChIKeyPSOSOSJJVKQQBU-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.66
Rot. Bonds1

About 2-(2,3-dihydroisoquinolin-3-yl)chromen-4-one

2-(2,3-dihydroisoquinolin-3-yl)chromen-4-one (PubChem CID 90378683) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(2,3-dihydroisoquinolin-3-yl)chromen-4-one.

Molecular Properties

Compound Name2-(2,3-dihydroisoquinolin-3-yl)chromen-4-one
PubChem CID90378683
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name2-(2,3-dihydroisoquinolin-3-yl)chromen-4-one
SMILESO=c1cc(C2C=c3ccccc3=CN2)oc2ccccc12
InChIInChI=1S/C18H13NO2/c20-16-10-18(21-17-8-4-3-7-14(16)17)15-9-12-5-1-2-6-13(12)11-19-15/h1-11,15,19H
InChIKeyPSOSOSJJVKQQBU-UHFFFAOYSA-N
XLogP1.66
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroisoquinolin-3-yl)chromen-4-one?
The IUPAC name of 2-(2,3-dihydroisoquinolin-3-yl)chromen-4-one (CID 90378683) is 2-(2,3-dihydroisoquinolin-3-yl)chromen-4-one.
What is the SMILES notation for 2-(2,3-dihydroisoquinolin-3-yl)chromen-4-one?
The canonical SMILES for 2-(2,3-dihydroisoquinolin-3-yl)chromen-4-one is O=c1cc(C2C=c3ccccc3=CN2)oc2ccccc12.
What is the InChIKey of 2-(2,3-dihydroisoquinolin-3-yl)chromen-4-one?
The InChIKey is PSOSOSJJVKQQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c20-16-10-18(21-17-8-4-3-7-14(16)17)15-9-12-5-1-2-6-13(12)11-19-15/h1-11,15,19H.
What are the key properties of 2-(2,3-dihydroisoquinolin-3-yl)chromen-4-one?
2-(2,3-dihydroisoquinolin-3-yl)chromen-4-one has a molecular weight of 275.31 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroisoquinolin-3-yl)chromen-4-one is sourced from PubChem (CID 90378683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).