6-[ethyl(3-oxobutan-2-yl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one

C16H17F3N2O2 — CID 23648059

IUPAC6-[ethyl(3-oxobutan-2-yl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCN(c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1)C(C)C(C)=O
InChIInChI=1S/C16H17F3N2O2/c1-4-21(9(2)10(3)22)11-5-6-14-12(7-11)13(16(17,18)19)8-15(23)20-14/h5-9H,4H2,1-3H3,(H,20,23)
InChIKeyHHRVWGPSMXXNQX-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.35
Rot. Bonds4

About 6-[ethyl(3-oxobutan-2-yl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one

6-[ethyl(3-oxobutan-2-yl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 23648059) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 6-[ethyl(3-oxobutan-2-yl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[ethyl(3-oxobutan-2-yl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID23648059
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name6-[ethyl(3-oxobutan-2-yl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCN(c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1)C(C)C(C)=O
InChIInChI=1S/C16H17F3N2O2/c1-4-21(9(2)10(3)22)11-5-6-14-12(7-11)13(16(17,18)19)8-15(23)20-14/h5-9H,4H2,1-3H3,(H,20,23)
InChIKeyHHRVWGPSMXXNQX-UHFFFAOYSA-N
XLogP3.35
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(3-oxobutan-2-yl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-[ethyl(3-oxobutan-2-yl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one (CID 23648059) is 6-[ethyl(3-oxobutan-2-yl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-[ethyl(3-oxobutan-2-yl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-[ethyl(3-oxobutan-2-yl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one is CCN(c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1)C(C)C(C)=O.
What is the InChIKey of 6-[ethyl(3-oxobutan-2-yl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is HHRVWGPSMXXNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c1-4-21(9(2)10(3)22)11-5-6-14-12(7-11)13(16(17,18)19)8-15(23)20-14/h5-9H,4H2,1-3H3,(H,20,23).
What are the key properties of 6-[ethyl(3-oxobutan-2-yl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
6-[ethyl(3-oxobutan-2-yl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 326.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(3-oxobutan-2-yl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 23648059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).