(3R)-3-amino-8-[2-(difluoromethyl)-5-fluorophenoxy]-1-methyl-3,4-dihydroquinolin-2-one

C17H15F3N2O2 — CID 170702611

IUPAC(3R)-3-amino-8-[2-(difluoromethyl)-5-fluorophenoxy]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)[C@H](N)Cc2cccc(Oc3cc(F)ccc3C(F)F)c21
InChIInChI=1S/C17H15F3N2O2/c1-22-15-9(7-12(21)17(22)23)3-2-4-13(15)24-14-8-10(18)5-6-11(14)16(19)20/h2-6,8,12,16H,7,21H2,1H3/t12-/m1/s1
InChIKeyRMKZNLMKDNRPHF-GFCCVEGCSA-N
MW336.31 g/mol
LogP3.40
Rot. Bonds3

About (3R)-3-amino-8-[2-(difluoromethyl)-5-fluorophenoxy]-1-methyl-3,4-dihydroquinolin-2-one

(3R)-3-amino-8-[2-(difluoromethyl)-5-fluorophenoxy]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 170702611) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is (3R)-3-amino-8-[2-(difluoromethyl)-5-fluorophenoxy]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-8-[2-(difluoromethyl)-5-fluorophenoxy]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID170702611
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name(3R)-3-amino-8-[2-(difluoromethyl)-5-fluorophenoxy]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)[C@H](N)Cc2cccc(Oc3cc(F)ccc3C(F)F)c21
InChIInChI=1S/C17H15F3N2O2/c1-22-15-9(7-12(21)17(22)23)3-2-4-13(15)24-14-8-10(18)5-6-11(14)16(19)20/h2-6,8,12,16H,7,21H2,1H3/t12-/m1/s1
InChIKeyRMKZNLMKDNRPHF-GFCCVEGCSA-N
XLogP3.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.40
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-(difluoromethyl)-5-fluorophenoxy]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of (3R)-3-amino-8-[2-(difluoromethyl)-5-fluorophenoxy]-1-methyl-3,4-dihydroquinolin-2-one (CID 170702611) is (3R)-3-amino-8-[2-(difluoromethyl)-5-fluorophenoxy]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3R)-3-amino-8-[2-(difluoromethyl)-5-fluorophenoxy]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3R)-3-amino-8-[2-(difluoromethyl)-5-fluorophenoxy]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)[C@H](N)Cc2cccc(Oc3cc(F)ccc3C(F)F)c21.
What is the InChIKey of (3R)-3-amino-8-[2-(difluoromethyl)-5-fluorophenoxy]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is RMKZNLMKDNRPHF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-22-15-9(7-12(21)17(22)23)3-2-4-13(15)24-14-8-10(18)5-6-11(14)16(19)20/h2-6,8,12,16H,7,21H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-3-amino-8-[2-(difluoromethyl)-5-fluorophenoxy]-1-methyl-3,4-dihydroquinolin-2-one?
(3R)-3-amino-8-[2-(difluoromethyl)-5-fluorophenoxy]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 336.31 g/mol, XLogP of 3.40, 3 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-(difluoromethyl)-5-fluorophenoxy]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 170702611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).