N1-(4-fluorophenyl)-N'1-(4-{[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy}phenyl)cyclopropane-1,1-dicarboxamide

N1-(4-fluorophenyl)-N'1-(4-{[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy}phenyl)cyclopropane-1,1-dicarboxamide

CAS: 2367004-54-2

Formula: C29H25FN4O5

SMILES: CNC(=O)C1=CC2=C(OC3=CC=C(NC(=O)C4(CC4)C(=O)NC4=CC=C(F)C=C4)C=C3)C=CN=C2C=C1OC

IUPAC: N1-(4-fluorophenyl)-N'1-(4-{[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy}phenyl)cyclopropane-1,1-dicarboxamide

InChI: InChI=1S/C29H25FN4O5/c1-31-26(35)22-15-21-23(16-25(22)38-2)32-14-11-24(21)39-20-9-7-19(8-10-20)34-28(37)29(12-13-29)27(36)33-18-5-3-17(30)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,35)(H,33,36)(H,34,37)

Composition: C (65.90%), H (4.77%), F (3.59%), N (10.60%), O (15.14%)

Molar Mass: 528.54

Atom Count: 64

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	528.180898084
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	JSPCKALGNNVYOO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	143.63
Topological Polar Surface Area	118.65
Polarizability	54.6
Ring Count	5
Rotatable Bond Count	8

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98%	<4 Days	2367004-54-2		$126.89-$1,537.21$126.89$220.15$436.47$684.14$1,025.06$1,537.21