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2-(4-fluorophenyl)-3-[isopropyl(methyl)amino]quinoxaline-6-carboxylic acid

2-(4-fluorophenyl)-3-[isopropyl(methyl)amino]quinoxaline-6-carboxylic acid

CAS: 1268863-35-9

Formula: C19H18FN3O2

SMILES: CC(C)N(C)C1=C(N=C2C=CC(=CC2=N1)C(O)=O)C1=CC=C(F)C=C1

IUPAC: 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid

InChI: InChI=1S/C19H18FN3O2/c1-11(2)23(3)18-17(12-4-7-14(20)8-5-12)21-15-9-6-13(19(24)25)10-16(15)22-18/h4-11H,1-3H3,(H,24,25)

Composition: C (67.24%), H (5.35%), F (5.60%), N (12.38%), O (9.43%)

Molar Mass: 339.37

Atom Count: 43

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 339.138304995
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey JKKRYYTVQXUOKL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.6
Topological Polar Surface Area 66.32
Polarizability 37.48
Ring Count 3
Rotatable Bond Count 4

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