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

C17H21F3N2O — CID 178034521

IUPAC(3R)-3-amino-1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
SMILESCC(C1CCCC1)N1C(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H21F3N2O/c1-10(11-4-2-3-5-11)22-15-9-13(17(18,19)20)7-6-12(15)8-14(21)16(22)23/h6-7,9-11,14H,2-5,8,21H2,1H3/t10?,14-/m1/s1
InChIKeyFKJJSRANBBEWTH-LNUXAPHWSA-N
MW326.36 g/mol
LogP3.50
Rot. Bonds2

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

(3R)-3-amino-1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one (PubChem CID 178034521) has the molecular formula C17H21F3N2O and a molecular weight of 326.36 g/mol. Its IUPAC name is (3R)-3-amino-1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
PubChem CID178034521
Molecular FormulaC17H21F3N2O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name(3R)-3-amino-1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
SMILESCC(C1CCCC1)N1C(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H21F3N2O/c1-10(11-4-2-3-5-11)22-15-9-13(17(18,19)20)7-6-12(15)8-14(21)16(22)23/h6-7,9-11,14H,2-5,8,21H2,1H3/t10?,14-/m1/s1
InChIKeyFKJJSRANBBEWTH-LNUXAPHWSA-N
XLogP3.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
CID 178034181
(3R)-3-amino-1-[(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3,4-dihydroquinolin-2-one
CID 178034410
(3S)-3-amino-1-hydroxy-6-(trifluoromethyl)-3,4-dihydroquinolin-2-one
CID 53253721
3-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-2-one
CID 66477583
(3R)-3-amino-7-cyclopropyl-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
CID 178034289
[(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]urea
CID 178034533
2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 162490775
1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine
CID 130196319
O-[[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methyl]hydroxylamine
CID 117202728
(3R)-3-amino-7-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
CID 178034416
tert-butyl N-[(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]carbamate
CID 178034394
N-methyl-1-[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanamine
CID 117202787

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of (3R)-3-amino-1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one (CID 178034521) is (3R)-3-amino-1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3R)-3-amino-1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3R)-3-amino-1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one is CC(C1CCCC1)N1C(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc21.
What is the InChIKey of (3R)-3-amino-1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is FKJJSRANBBEWTH-LNUXAPHWSA-N. The full InChI is InChI=1S/C17H21F3N2O/c1-10(11-4-2-3-5-11)22-15-9-13(17(18,19)20)7-6-12(15)8-14(21)16(22)23/h6-7,9-11,14H,2-5,8,21H2,1H3/t10?,14-/m1/s1.
What are the key properties of (3R)-3-amino-1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
(3R)-3-amino-1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 326.36 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 178034521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).