6-[(2-chloro-2,2-difluoroethyl)-(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one

C14H10ClF7N2O — CID 23648048

IUPAC6-[(2-chloro-2,2-difluoroethyl)-(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(N(CC(F)F)CC(F)(F)Cl)ccc2[nH]1
InChIInChI=1S/C14H10ClF7N2O/c15-13(18,19)6-24(5-11(16)17)7-1-2-10-8(3-7)9(14(20,21)22)4-12(25)23-10/h1-4,11H,5-6H2,(H,23,25)
InChIKeyGNGVFMOKCYNONK-UHFFFAOYSA-N
MW390.69 g/mol
LogP4.45
Rot. Bonds5

About 6-[(2-chloro-2,2-difluoroethyl)-(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one

6-[(2-chloro-2,2-difluoroethyl)-(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 23648048) has the molecular formula C14H10ClF7N2O and a molecular weight of 390.69 g/mol. Its IUPAC name is 6-[(2-chloro-2,2-difluoroethyl)-(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(2-chloro-2,2-difluoroethyl)-(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID23648048
Molecular FormulaC14H10ClF7N2O
Molecular Weight390.69 g/mol
Exact Mass390.04
IUPAC Name6-[(2-chloro-2,2-difluoroethyl)-(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(N(CC(F)F)CC(F)(F)Cl)ccc2[nH]1
InChIInChI=1S/C14H10ClF7N2O/c15-13(18,19)6-24(5-11(16)17)7-1-2-10-8(3-7)9(14(20,21)22)4-12(25)23-10/h1-4,11H,5-6H2,(H,23,25)
InChIKeyGNGVFMOKCYNONK-UHFFFAOYSA-N
XLogP4.45
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[(2-chloro-2,2-difluoroethyl)-(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one with MolForge

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Related Compounds

Lgd 2226
CID 11560224
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-Amino-1,3-dimethyl-1,2-dihydroquinolin-2-one
CID 83636605
N-(4-Amino-3-(trifluoromethyl)phenyl)acetamide
CID 16227548
6-[(2,2-Difluoroethyl)(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9885897
6-[(2-Chloroethyl)(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9951393
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-[Bis(2,2,2-trifluoroethyl)amino]-4-chloro-1,2-dihydroquinolin-2-one
CID 23648062

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-2,2-difluoroethyl)-(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-[(2-chloro-2,2-difluoroethyl)-(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one (CID 23648048) is 6-[(2-chloro-2,2-difluoroethyl)-(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-[(2-chloro-2,2-difluoroethyl)-(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-[(2-chloro-2,2-difluoroethyl)-(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one is O=c1cc(C(F)(F)F)c2cc(N(CC(F)F)CC(F)(F)Cl)ccc2[nH]1.
What is the InChIKey of 6-[(2-chloro-2,2-difluoroethyl)-(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is GNGVFMOKCYNONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF7N2O/c15-13(18,19)6-24(5-11(16)17)7-1-2-10-8(3-7)9(14(20,21)22)4-12(25)23-10/h1-4,11H,5-6H2,(H,23,25).
What are the key properties of 6-[(2-chloro-2,2-difluoroethyl)-(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
6-[(2-chloro-2,2-difluoroethyl)-(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 390.69 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-2,2-difluoroethyl)-(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 23648048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).