3-phenyl-7,8-dihydro-6H-cinnolin-5-one

C14H12N2O — CID 10537105

IUPAC3-phenyl-7,8-dihydro-6H-cinnolin-5-one
SMILESO=C1CCCc2nnc(-c3ccccc3)cc21
InChIInChI=1S/C14H12N2O/c17-14-8-4-7-12-11(14)9-13(16-15-12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
InChIKeyZVINFTUPZUDNAA-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.66
Rot. Bonds1

About 3-phenyl-7,8-dihydro-6H-cinnolin-5-one

3-phenyl-7,8-dihydro-6H-cinnolin-5-one (PubChem CID 10537105) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-phenyl-7,8-dihydro-6H-cinnolin-5-one.

Molecular Properties

Compound Name3-phenyl-7,8-dihydro-6H-cinnolin-5-one
PubChem CID10537105
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name3-phenyl-7,8-dihydro-6H-cinnolin-5-one
SMILESO=C1CCCc2nnc(-c3ccccc3)cc21
InChIInChI=1S/C14H12N2O/c17-14-8-4-7-12-11(14)9-13(16-15-12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
InChIKeyZVINFTUPZUDNAA-UHFFFAOYSA-N
XLogP2.66
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-7,8-dihydro-6H-cinnolin-5-one?
The IUPAC name of 3-phenyl-7,8-dihydro-6H-cinnolin-5-one (CID 10537105) is 3-phenyl-7,8-dihydro-6H-cinnolin-5-one.
What is the SMILES notation for 3-phenyl-7,8-dihydro-6H-cinnolin-5-one?
The canonical SMILES for 3-phenyl-7,8-dihydro-6H-cinnolin-5-one is O=C1CCCc2nnc(-c3ccccc3)cc21.
What is the InChIKey of 3-phenyl-7,8-dihydro-6H-cinnolin-5-one?
The InChIKey is ZVINFTUPZUDNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c17-14-8-4-7-12-11(14)9-13(16-15-12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2.
What are the key properties of 3-phenyl-7,8-dihydro-6H-cinnolin-5-one?
3-phenyl-7,8-dihydro-6H-cinnolin-5-one has a molecular weight of 224.26 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7,8-dihydro-6H-cinnolin-5-one is sourced from PubChem (CID 10537105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).