3-ethyl-1-propan-2-yl-7-(trifluoromethyl)cinnolin-4-one

C14H15F3N2O — CID 163218895

IUPAC3-ethyl-1-propan-2-yl-7-(trifluoromethyl)cinnolin-4-one
SMILESCCc1nn(C(C)C)c2cc(C(F)(F)F)ccc2c1=O
InChIInChI=1S/C14H15F3N2O/c1-4-11-13(20)10-6-5-9(14(15,16)17)7-12(10)19(18-11)8(2)3/h5-8H,4H2,1-3H3
InChIKeyZIEATWMDLQXUKK-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.56
Rot. Bonds2

About 3-ethyl-1-propan-2-yl-7-(trifluoromethyl)cinnolin-4-one

3-ethyl-1-propan-2-yl-7-(trifluoromethyl)cinnolin-4-one (PubChem CID 163218895) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-yl-7-(trifluoromethyl)cinnolin-4-one.

Molecular Properties

Compound Name3-ethyl-1-propan-2-yl-7-(trifluoromethyl)cinnolin-4-one
PubChem CID163218895
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name3-ethyl-1-propan-2-yl-7-(trifluoromethyl)cinnolin-4-one
SMILESCCc1nn(C(C)C)c2cc(C(F)(F)F)ccc2c1=O
InChIInChI=1S/C14H15F3N2O/c1-4-11-13(20)10-6-5-9(14(15,16)17)7-12(10)19(18-11)8(2)3/h5-8H,4H2,1-3H3
InChIKeyZIEATWMDLQXUKK-UHFFFAOYSA-N
XLogP3.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propan-2-yl-7-(trifluoromethyl)cinnolin-4-one?
The IUPAC name of 3-ethyl-1-propan-2-yl-7-(trifluoromethyl)cinnolin-4-one (CID 163218895) is 3-ethyl-1-propan-2-yl-7-(trifluoromethyl)cinnolin-4-one.
What is the SMILES notation for 3-ethyl-1-propan-2-yl-7-(trifluoromethyl)cinnolin-4-one?
The canonical SMILES for 3-ethyl-1-propan-2-yl-7-(trifluoromethyl)cinnolin-4-one is CCc1nn(C(C)C)c2cc(C(F)(F)F)ccc2c1=O.
What is the InChIKey of 3-ethyl-1-propan-2-yl-7-(trifluoromethyl)cinnolin-4-one?
The InChIKey is ZIEATWMDLQXUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-4-11-13(20)10-6-5-9(14(15,16)17)7-12(10)19(18-11)8(2)3/h5-8H,4H2,1-3H3.
What are the key properties of 3-ethyl-1-propan-2-yl-7-(trifluoromethyl)cinnolin-4-one?
3-ethyl-1-propan-2-yl-7-(trifluoromethyl)cinnolin-4-one has a molecular weight of 284.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propan-2-yl-7-(trifluoromethyl)cinnolin-4-one is sourced from PubChem (CID 163218895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).