N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-hydroxyquinoline-4-carboxamide

N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-hydroxyquinoline-4-carboxamide

Formula: C17H14F2N4O3

SMILES: OC1=CC2=C(C=CN=C2C=C1)C(=O)NCC(=O)N1CC(F)(F)CC1C#N

IUPAC: N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-hydroxyquinoline-4-carboxamide

InChI: InChI=1/C17H14F2N4O3/c18-17(19)6-10(7-20)23(9-17)15(25)8-22-16(26)12-3-4-21-14-2-1-11(24)5-13(12)14/h1-5,10,24H,6,8-9H2,(H,22,26)

Composition: C (56.67%), H (3.92%), F (10.55%), N (15.55%), O (13.32%)

Molar Mass: 360.321

Atom Count: 40

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	360.103396653
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	BXAVVMNUDHIKSU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.6
Topological Polar Surface Area	106.32
Polarizability	33.15
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C17H14F2N4O3		Quote Only