1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one

C17H20F3NO — CID 178034181

IUPAC1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
SMILESCC(C1CCCC1)N1C(=O)CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H20F3NO/c1-11(12-4-2-3-5-12)21-15-10-14(17(18,19)20)8-6-13(15)7-9-16(21)22/h6,8,10-12H,2-5,7,9H2,1H3
InChIKeyUYVNYAQPXYAOLE-UHFFFAOYSA-N
MW311.35 g/mol
LogP4.56
Rot. Bonds2

About 1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one

1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one (PubChem CID 178034181) has the molecular formula C17H20F3NO and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
PubChem CID178034181
Molecular FormulaC17H20F3NO
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
SMILESCC(C1CCCC1)N1C(=O)CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H20F3NO/c1-11(12-4-2-3-5-12)21-15-10-14(17(18,19)20)8-6-13(15)7-9-16(21)22/h6,8,10-12H,2-5,7,9H2,1H3
InChIKeyUYVNYAQPXYAOLE-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-amino-1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
CID 178034521
propan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 141019708
1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 135144208
6-nitro-1-[1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-2-one
CID 170748345
1-hydroxy-6-(trifluoromethyl)-3H-indol-2-one
CID 26986199
ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 143643900
ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 143643842
1-ethyl-6-(trifluoromethyl)-3H-indol-2-one
CID 117206073
2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 162490775
(5S)-5-propan-2-yl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 170289723
1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine
CID 130196319
1-propan-2-yl-5-(trifluoromethyl)-3H-indole-2-thione
CID 158280479

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one (CID 178034181) is 1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one is CC(C1CCCC1)N1C(=O)CCc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is UYVNYAQPXYAOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO/c1-11(12-4-2-3-5-12)21-15-10-14(17(18,19)20)8-6-13(15)7-9-16(21)22/h6,8,10-12H,2-5,7,9H2,1H3.
What are the key properties of 1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 311.35 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 178034181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).