7,8-dihydrochromeno[3,4-c]isoquinolin-6-one

C16H11NO2 — CID 24756332

IUPAC7,8-dihydrochromeno[3,4-c]isoquinolin-6-one
SMILESO=c1oc2ccccc2c2c1NCc1ccccc1-2
InChIInChI=1S/C16H11NO2/c18-16-15-14(12-7-3-4-8-13(12)19-16)11-6-2-1-5-10(11)9-17-15/h1-8,17H,9H2
InChIKeyVVWXBJKKPOWAEL-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.39
Rot. Bonds

About 7,8-dihydrochromeno[3,4-c]isoquinolin-6-one

7,8-dihydrochromeno[3,4-c]isoquinolin-6-one (PubChem CID 24756332) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 7,8-dihydrochromeno[3,4-c]isoquinolin-6-one.

Molecular Properties

Compound Name7,8-dihydrochromeno[3,4-c]isoquinolin-6-one
PubChem CID24756332
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name7,8-dihydrochromeno[3,4-c]isoquinolin-6-one
SMILESO=c1oc2ccccc2c2c1NCc1ccccc1-2
InChIInChI=1S/C16H11NO2/c18-16-15-14(12-7-3-4-8-13(12)19-16)11-6-2-1-5-10(11)9-17-15/h1-8,17H,9H2
InChIKeyVVWXBJKKPOWAEL-UHFFFAOYSA-N
XLogP3.39
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydrochromeno[3,4-c]isoquinolin-6-one?
The IUPAC name of 7,8-dihydrochromeno[3,4-c]isoquinolin-6-one (CID 24756332) is 7,8-dihydrochromeno[3,4-c]isoquinolin-6-one.
What is the SMILES notation for 7,8-dihydrochromeno[3,4-c]isoquinolin-6-one?
The canonical SMILES for 7,8-dihydrochromeno[3,4-c]isoquinolin-6-one is O=c1oc2ccccc2c2c1NCc1ccccc1-2.
What is the InChIKey of 7,8-dihydrochromeno[3,4-c]isoquinolin-6-one?
The InChIKey is VVWXBJKKPOWAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-16-15-14(12-7-3-4-8-13(12)19-16)11-6-2-1-5-10(11)9-17-15/h1-8,17H,9H2.
What are the key properties of 7,8-dihydrochromeno[3,4-c]isoquinolin-6-one?
7,8-dihydrochromeno[3,4-c]isoquinolin-6-one has a molecular weight of 249.27 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydrochromeno[3,4-c]isoquinolin-6-one is sourced from PubChem (CID 24756332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).