C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC4=NC=C(C=C4C=C3)C(=O)O
Name: 7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid
SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC4=NC=C(C=C4C=C3)C(=O)O

Molecular Processing

Molecular formula
C24H15F3N2O3
Molecular weight
436.39
Exact mass
436.1035
XLogP
5.87
TPSA
79.29
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.042
Molar refractivity
113.54

Supplementary Information

InChIKey: HSOUMTLCFUJITE-UHFFFAOYSA-N
Synonyme
7-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-amino)-quinoline-3-carboxylic acid7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-quinoline-3-carboxylic acidSCHEMBL60528807-[(4'-trifluoromethyl-biphenyl -2-carbonyl)-amino]-quinoline-3-carboxylic acid
Quelle anzeigen →
An 117 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→