6-diazenyl-4-(trifluoromethyl)-1H-quinolin-2-one

C10H6F3N3O — CID 85063749

IUPAC6-diazenyl-4-(trifluoromethyl)-1H-quinolin-2-one
SMILES[H]/N=N/c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C10H6F3N3O/c11-10(12,13)7-4-9(17)15-8-2-1-5(16-14)3-6(7)8/h1-4,14H,(H,15,17)/b16-14+
InChIKeySMHBENVBFXKATJ-JQIJEIRASA-N
MW241.17 g/mol
LogP3.21
Rot. Bonds1

About 6-diazenyl-4-(trifluoromethyl)-1H-quinolin-2-one

6-diazenyl-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 85063749) has the molecular formula C10H6F3N3O and a molecular weight of 241.17 g/mol. Its IUPAC name is 6-diazenyl-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-diazenyl-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID85063749
Molecular FormulaC10H6F3N3O
Molecular Weight241.17 g/mol
Exact Mass241.05
IUPAC Name6-diazenyl-4-(trifluoromethyl)-1H-quinolin-2-one
SMILES[H]/N=N/c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C10H6F3N3O/c11-10(12,13)7-4-9(17)15-8-2-1-5(16-14)3-6(7)8/h1-4,14H,(H,15,17)/b16-14+
InChIKeySMHBENVBFXKATJ-JQIJEIRASA-N
XLogP3.21
TPSA69.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-diazenyl-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-diazenyl-4-(trifluoromethyl)-1H-quinolin-2-one (CID 85063749) is 6-diazenyl-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-diazenyl-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-diazenyl-4-(trifluoromethyl)-1H-quinolin-2-one is [H]/N=N/c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1.
What is the InChIKey of 6-diazenyl-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is SMHBENVBFXKATJ-JQIJEIRASA-N. The full InChI is InChI=1S/C10H6F3N3O/c11-10(12,13)7-4-9(17)15-8-2-1-5(16-14)3-6(7)8/h1-4,14H,(H,15,17)/b16-14+.
What are the key properties of 6-diazenyl-4-(trifluoromethyl)-1H-quinolin-2-one?
6-diazenyl-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 241.17 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazenyl-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 85063749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).