6-amino-1-(2,2-difluoroethyl)-3,4-dihydroquinolin-2-one

C11H12F2N2O — CID 60922791

IUPAC6-amino-1-(2,2-difluoroethyl)-3,4-dihydroquinolin-2-one
SMILESNc1ccc2c(c1)CCC(=O)N2CC(F)F
InChIInChI=1S/C11H12F2N2O/c12-10(13)6-15-9-3-2-8(14)5-7(9)1-4-11(15)16/h2-3,5,10H,1,4,6,14H2
InChIKeyDAIDXOQCCJTAAG-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.81
Rot. Bonds2

About 6-amino-1-(2,2-difluoroethyl)-3,4-dihydroquinolin-2-one

6-amino-1-(2,2-difluoroethyl)-3,4-dihydroquinolin-2-one (PubChem CID 60922791) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 6-amino-1-(2,2-difluoroethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-(2,2-difluoroethyl)-3,4-dihydroquinolin-2-one
PubChem CID60922791
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name6-amino-1-(2,2-difluoroethyl)-3,4-dihydroquinolin-2-one
SMILESNc1ccc2c(c1)CCC(=O)N2CC(F)F
InChIInChI=1S/C11H12F2N2O/c12-10(13)6-15-9-3-2-8(14)5-7(9)1-4-11(15)16/h2-3,5,10H,1,4,6,14H2
InChIKeyDAIDXOQCCJTAAG-UHFFFAOYSA-N
XLogP1.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Lgd 2226
CID 11560224
Hydrocarbostyril
CID 64796
6-[Bis(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9820051
6-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9884851
6-[Ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9927792
6-[Bis(2,2,2-trifluoroethyl)amino]-4-methyl-1,2-dihydroquinolin-2-one
CID 22279296
6-[(2,2-Difluoroethyl)(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9885897
6-[Bis(2,2,2-trifluoroethyl)amino]-1,2-dihydroquinolin-2-one
CID 23644730
6-[Bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1,2-dihydroquinolin-2-one
CID 23648061
6-[(2,2,2-Trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9818136
6-((2,2,3,3,3-Pentafluoropropyl)amino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9841791
4-(Trifluoromethyl)-6-(propylamino)quinoline-2(1H)-one
CID 9903530

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2,2-difluoroethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-1-(2,2-difluoroethyl)-3,4-dihydroquinolin-2-one (CID 60922791) is 6-amino-1-(2,2-difluoroethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-(2,2-difluoroethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-1-(2,2-difluoroethyl)-3,4-dihydroquinolin-2-one is Nc1ccc2c(c1)CCC(=O)N2CC(F)F.
What is the InChIKey of 6-amino-1-(2,2-difluoroethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is DAIDXOQCCJTAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c12-10(13)6-15-9-3-2-8(14)5-7(9)1-4-11(15)16/h2-3,5,10H,1,4,6,14H2.
What are the key properties of 6-amino-1-(2,2-difluoroethyl)-3,4-dihydroquinolin-2-one?
6-amino-1-(2,2-difluoroethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 226.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2,2-difluoroethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 60922791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).