7-(diethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

C14H15F3N2O — CID 23648043

IUPAC7-(diethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCN(CC)c1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1
InChIInChI=1S/C14H15F3N2O/c1-3-19(4-2)9-5-6-10-11(14(15,16)17)8-13(20)18-12(10)7-9/h5-8H,3-4H2,1-2H3,(H,18,20)
InChIKeyUILFNGMMUOMMAP-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.39
Rot. Bonds3

About 7-(diethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

7-(diethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 23648043) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 7-(diethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(diethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID23648043
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name7-(diethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCN(CC)c1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1
InChIInChI=1S/C14H15F3N2O/c1-3-19(4-2)9-5-6-10-11(14(15,16)17)8-13(20)18-12(10)7-9/h5-8H,3-4H2,1-2H3,(H,18,20)
InChIKeyUILFNGMMUOMMAP-UHFFFAOYSA-N
XLogP3.39
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 7-(diethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 23648043) is 7-(diethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-(diethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-(diethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is CCN(CC)c1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1.
What is the InChIKey of 7-(diethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is UILFNGMMUOMMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-3-19(4-2)9-5-6-10-11(14(15,16)17)8-13(20)18-12(10)7-9/h5-8H,3-4H2,1-2H3,(H,18,20).
What are the key properties of 7-(diethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
7-(diethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 284.28 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 23648043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).