CCOC(=O)C1=CNC2=CC(=C(C=C2C1=O)F)N3C=CC=C3
Nombre: ethyl 6-fluoro-4-oxo-7-pyrrol-1-yl-1H-quinoline-3-carboxylate
SMILES: CCOC(=O)C1=CNC2=CC(=C(C=C2C1=O)F)N3C=CC=C3

Molecular Processing

Molecular formula
C16H13FN2O3
Molecular weight
300.29
Exact mass
300.091
XLogP
2.63
TPSA
64.09
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
79.81

Supplementary Information

InChIKey: AZLXODHXSXPORV-UHFFFAOYSA-N
Sinónimos
SCHEMBL10674499SCHEMBL11019772AZLXODHXSXPORV-UHFFFAOYSA-Nethyl 6-fluoro-7-(pyrrol-1-yl)-4-hydroxyquinoline-3-caboxylateethyl 6-fluoro-7-(pyrrol-1-yl)-4-hydroxyquinoline-3-carboxylate
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