5,6-dihydroisochromeno[4,3-c]cinnolin-12-one

C15H10N2O2 — CID 170972424

IUPAC5,6-dihydroisochromeno[4,3-c]cinnolin-12-one
SMILESO=c1oc2c(c3ccccc13)NNc1ccccc1-2
InChIInChI=1S/C15H10N2O2/c18-15-10-6-2-1-5-9(10)13-14(19-15)11-7-3-4-8-12(11)16-17-13/h1-8,16-17H
InChIKeyXAUCLLHKDWDGSS-UHFFFAOYSA-N
MW250.26 g/mol
LogP3.21
Rot. Bonds

About 5,6-dihydroisochromeno[4,3-c]cinnolin-12-one

5,6-dihydroisochromeno[4,3-c]cinnolin-12-one (PubChem CID 170972424) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5,6-dihydroisochromeno[4,3-c]cinnolin-12-one.

Molecular Properties

Compound Name5,6-dihydroisochromeno[4,3-c]cinnolin-12-one
PubChem CID170972424
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name5,6-dihydroisochromeno[4,3-c]cinnolin-12-one
SMILESO=c1oc2c(c3ccccc13)NNc1ccccc1-2
InChIInChI=1S/C15H10N2O2/c18-15-10-6-2-1-5-9(10)13-14(19-15)11-7-3-4-8-12(11)16-17-13/h1-8,16-17H
InChIKeyXAUCLLHKDWDGSS-UHFFFAOYSA-N
XLogP3.21
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroisochromeno[4,3-c]cinnolin-12-one?
The IUPAC name of 5,6-dihydroisochromeno[4,3-c]cinnolin-12-one (CID 170972424) is 5,6-dihydroisochromeno[4,3-c]cinnolin-12-one.
What is the SMILES notation for 5,6-dihydroisochromeno[4,3-c]cinnolin-12-one?
The canonical SMILES for 5,6-dihydroisochromeno[4,3-c]cinnolin-12-one is O=c1oc2c(c3ccccc13)NNc1ccccc1-2.
What is the InChIKey of 5,6-dihydroisochromeno[4,3-c]cinnolin-12-one?
The InChIKey is XAUCLLHKDWDGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c18-15-10-6-2-1-5-9(10)13-14(19-15)11-7-3-4-8-12(11)16-17-13/h1-8,16-17H.
What are the key properties of 5,6-dihydroisochromeno[4,3-c]cinnolin-12-one?
5,6-dihydroisochromeno[4,3-c]cinnolin-12-one has a molecular weight of 250.26 g/mol, XLogP of 3.21, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroisochromeno[4,3-c]cinnolin-12-one is sourced from PubChem (CID 170972424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).