6-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C13H14F4N2O2 — CID 103207168

IUPAC6-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESNC(COCC(F)(F)F)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C13H14F4N2O2/c14-9-4-11-7(1-2-12(20)19-11)3-8(9)10(18)5-21-6-13(15,16)17/h3-4,10H,1-2,5-6,18H2,(H,19,20)
InChIKeyPJXVNBBYXAMOSU-UHFFFAOYSA-N
MW306.26 g/mol
LogP2.29
Rot. Bonds4

About 6-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

6-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 103207168) has the molecular formula C13H14F4N2O2 and a molecular weight of 306.26 g/mol. Its IUPAC name is 6-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID103207168
Molecular FormulaC13H14F4N2O2
Molecular Weight306.26 g/mol
Exact Mass306.10
IUPAC Name6-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESNC(COCC(F)(F)F)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C13H14F4N2O2/c14-9-4-11-7(1-2-12(20)19-11)3-8(9)10(18)5-21-6-13(15,16)17/h3-4,10H,1-2,5-6,18H2,(H,19,20)
InChIKeyPJXVNBBYXAMOSU-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 103556144
6-amino-6-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)hexanamide
CID 60860353
7-fluoro-6-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 61083240
6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457663
6-[amino(cyclobutyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43383703
6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457682
6-[amino-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 106684062
6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457700
6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61080517
6-(1-chloro-2-phenylethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61083648
7-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103210715
6-[2-ethyl-1-(methylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43487537

Frequently Asked Questions

What is the IUPAC name of 6-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 103207168) is 6-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is NC(COCC(F)(F)F)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 6-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PJXVNBBYXAMOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O2/c14-9-4-11-7(1-2-12(20)19-11)3-8(9)10(18)5-21-6-13(15,16)17/h3-4,10H,1-2,5-6,18H2,(H,19,20).
What are the key properties of 6-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 306.26 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 103207168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).