3-amino-6-ethyl-N-(5-fluoro-2-methylphenyl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide

3-amino-6-ethyl-N-(5-fluoro-2-methylphenyl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide

CAS: 625370-68-5

Formula: C21H22FN3OS

SMILES: CCC1CCC2=C(C1)C=C1C(N)=C(SC1=N2)C(=O)NC1=C(C)C=CC(F)=C1

IUPAC: 3-amino-6-ethyl-N-(5-fluoro-2-methylphenyl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide

InChI: InChI=1/C21H22FN3OS/c1-3-12-5-7-16-13(8-12)9-15-18(23)19(27-21(15)25-16)20(26)24-17-10-14(22)6-4-11(17)2/h4,6,9-10,12H,3,5,7-8,23H2,1-2H3,(H,24,26)

Composition: C (65.77%), H (5.78%), F (4.95%), N (10.96%), O (4.17%), S (8.36%)

Molar Mass: 383.49

Atom Count: 49

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	383.146761677
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NZXKEQWASTUSHE-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	108.68
Topological Polar Surface Area	68.01
Polarizability	40.27
Ring Count	4
Rotatable Bond Count	3

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90%	<2 Days	625370-68-5		$51.35-$86.31$51.35$63.37$86.31