3-phenyl-1H-cinnolin-4-one

C14H10N2O — CID 665115

IUPAC3-phenyl-1H-cinnolin-4-one
SMILESO=c1c(-c2ccccc2)n[nH]c2ccccc12
InChIInChI=1S/C14H10N2O/c17-14-11-8-4-5-9-12(11)15-16-13(14)10-6-2-1-3-7-10/h1-9H,(H,15,17)
InChIKeyDCVQXYWIIQWVKR-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.59
Rot. Bonds1

About 3-phenyl-1H-cinnolin-4-one

3-phenyl-1H-cinnolin-4-one (PubChem CID 665115) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-phenyl-1H-cinnolin-4-one.

Molecular Properties

Compound Name3-phenyl-1H-cinnolin-4-one
PubChem CID665115
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name3-phenyl-1H-cinnolin-4-one
SMILESO=c1c(-c2ccccc2)n[nH]c2ccccc12
InChIInChI=1S/C14H10N2O/c17-14-11-8-4-5-9-12(11)15-16-13(14)10-6-2-1-3-7-10/h1-9H,(H,15,17)
InChIKeyDCVQXYWIIQWVKR-UHFFFAOYSA-N
XLogP2.59
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1H-cinnolin-4-one?
The IUPAC name of 3-phenyl-1H-cinnolin-4-one (CID 665115) is 3-phenyl-1H-cinnolin-4-one.
What is the SMILES notation for 3-phenyl-1H-cinnolin-4-one?
The canonical SMILES for 3-phenyl-1H-cinnolin-4-one is O=c1c(-c2ccccc2)n[nH]c2ccccc12.
What is the InChIKey of 3-phenyl-1H-cinnolin-4-one?
The InChIKey is DCVQXYWIIQWVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c17-14-11-8-4-5-9-12(11)15-16-13(14)10-6-2-1-3-7-10/h1-9H,(H,15,17).
What are the key properties of 3-phenyl-1H-cinnolin-4-one?
3-phenyl-1H-cinnolin-4-one has a molecular weight of 222.25 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1H-cinnolin-4-one is sourced from PubChem (CID 665115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).