6-pent-2-en-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one

C15H14F3NO — CID 90954001

IUPAC6-pent-2-en-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCC=C(C)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C15H14F3NO/c1-3-4-9(2)10-5-6-13-11(7-10)12(15(16,17)18)8-14(20)19-13/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeyPRBDKAMFZXOIOK-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.36
Rot. Bonds2

About 6-pent-2-en-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one

6-pent-2-en-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 90954001) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 6-pent-2-en-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-pent-2-en-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID90954001
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name6-pent-2-en-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCC=C(C)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C15H14F3NO/c1-3-4-9(2)10-5-6-13-11(7-10)12(15(16,17)18)8-14(20)19-13/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeyPRBDKAMFZXOIOK-UHFFFAOYSA-N
XLogP4.36
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane
CID 142046924
6-(pentan-3-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279219
6-(4-tert-butylphenyl)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279021
6-[3-oxobutan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 122197407
6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 10199303
6-[(2S,5S)-2,5-dipropylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 141035214
2-methylpropyl-oxo-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]amino]azanium
CID 22279218
6-diazenyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 85063749
N-methylpentan-2-amine;propane;6-sulfanyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 142942493
(3-amino-3-oxopropyl) 2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonate
CID 87928102
6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one
CID 18008402
1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidine-2-carbaldehyde
CID 22279263

Frequently Asked Questions

What is the IUPAC name of 6-pent-2-en-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-pent-2-en-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one (CID 90954001) is 6-pent-2-en-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-pent-2-en-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-pent-2-en-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one is CCC=C(C)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1.
What is the InChIKey of 6-pent-2-en-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is PRBDKAMFZXOIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-3-4-9(2)10-5-6-13-11(7-10)12(15(16,17)18)8-14(20)19-13/h4-8H,3H2,1-2H3,(H,19,20).
What are the key properties of 6-pent-2-en-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one?
6-pent-2-en-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 281.28 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pent-2-en-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 90954001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).