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6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-[2-(pyrrolidin-1-yl)ethyl]quinoline-4-carboxamide; succinic acid

6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-[2-(pyrrolidin-1-yl)ethyl]quinoline-4-carboxamide; succinic acid

CAS: 2444781-71-7

Formula: C31H37FN4O6

SMILES: OC(=O)CCC(O)=O.FC1=CC=C2N=C(C=C(C(=O)NCCN3CCCC3)C2=C1)C1=CC=C(CN2CCOCC2)C=C1

IUPAC: 6-fluoro-2-{4-[(morpholin-4-yl)methyl]phenyl}-N-[2-(pyrrolidin-1-yl)ethyl]quinoline-4-carboxamide; butanedioic acid

InChI: InChI=1S/C27H31FN4O2.C4H6O4/c28-22-7-8-25-23(17-22)24(27(33)29-9-12-31-10-1-2-11-31)18-26(30-25)21-5-3-20(4-6-21)19-32-13-15-34-16-14-32;5-3(6)1-2-4(7)8/h3-8,17-18H,1-2,9-16,19H2,(H,29,33);1-2H2,(H,5,6)(H,7,8)

Composition: C (64.12%), H (6.42%), F (3.27%), N (9.65%), O (16.53%)

Molar Mass: 580.657

Atom Count: 79

Heavy Atom Count: 42

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 580.26971309
Formal Charge 0
FSP3 0.42
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey OTKHBNSZSWWVRJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 132.11
Topological Polar Surface Area 57.7
Polarizability 52.93
Ring Count 5
Rotatable Bond Count 10

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