(3R)-3-amino-8-(2-fluorophenoxy)-1-methyl-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one

C17H14F4N2O2 — CID 170702576

IUPAC(3R)-3-amino-8-(2-fluorophenoxy)-1-methyl-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)[C@H](N)Cc2ccc(C(F)(F)F)c(Oc3ccccc3F)c21
InChIInChI=1S/C17H14F4N2O2/c1-23-14-9(8-12(22)16(23)24)6-7-10(17(19,20)21)15(14)25-13-5-3-2-4-11(13)18/h2-7,12H,8,22H2,1H3/t12-/m1/s1
InChIKeyNNJOTFJOHXLRSI-GFCCVEGCSA-N
MW354.30 g/mol
LogP3.48
Rot. Bonds2

About (3R)-3-amino-8-(2-fluorophenoxy)-1-methyl-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one

(3R)-3-amino-8-(2-fluorophenoxy)-1-methyl-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one (PubChem CID 170702576) has the molecular formula C17H14F4N2O2 and a molecular weight of 354.30 g/mol. Its IUPAC name is (3R)-3-amino-8-(2-fluorophenoxy)-1-methyl-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-8-(2-fluorophenoxy)-1-methyl-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
PubChem CID170702576
Molecular FormulaC17H14F4N2O2
Molecular Weight354.30 g/mol
Exact Mass354.10
IUPAC Name(3R)-3-amino-8-(2-fluorophenoxy)-1-methyl-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)[C@H](N)Cc2ccc(C(F)(F)F)c(Oc3ccccc3F)c21
InChIInChI=1S/C17H14F4N2O2/c1-23-14-9(8-12(22)16(23)24)6-7-10(17(19,20)21)15(14)25-13-5-3-2-4-11(13)18/h2-7,12H,8,22H2,1H3/t12-/m1/s1
InChIKeyNNJOTFJOHXLRSI-GFCCVEGCSA-N
XLogP3.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-8-(2-fluorophenoxy)-1-methyl-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of (3R)-3-amino-8-(2-fluorophenoxy)-1-methyl-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one (CID 170702576) is (3R)-3-amino-8-(2-fluorophenoxy)-1-methyl-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3R)-3-amino-8-(2-fluorophenoxy)-1-methyl-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3R)-3-amino-8-(2-fluorophenoxy)-1-methyl-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one is CN1C(=O)[C@H](N)Cc2ccc(C(F)(F)F)c(Oc3ccccc3F)c21.
What is the InChIKey of (3R)-3-amino-8-(2-fluorophenoxy)-1-methyl-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is NNJOTFJOHXLRSI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H14F4N2O2/c1-23-14-9(8-12(22)16(23)24)6-7-10(17(19,20)21)15(14)25-13-5-3-2-4-11(13)18/h2-7,12H,8,22H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-3-amino-8-(2-fluorophenoxy)-1-methyl-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one?
(3R)-3-amino-8-(2-fluorophenoxy)-1-methyl-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 354.30 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-8-(2-fluorophenoxy)-1-methyl-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 170702576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).