N-{2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl}quinoline-4-carboxamide

N-{2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl}quinoline-4-carboxamide

CAS: 1448440-52-5

Formula: C17H14F2N4O2

SMILES: FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)C1=CC=NC2=CC=CC=C12

IUPAC: N-{2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl}quinoline-4-carboxamide

InChI: InChI=1S/C17H14F2N4O2/c18-17(19)7-11(8-20)23(10-17)15(24)9-22-16(25)13-5-6-21-14-4-2-1-3-12(13)14/h1-6,11H,7,9-10H2,(H,22,25)/t11-/m0/s1

Composition: C (59.30%), H (4.10%), F (11.04%), N (16.27%), O (9.29%)

Molar Mass: 344.322

Atom Count: 39

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	344.108482033
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PUOOCZVRHBHJRS-NSHDSACASA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.61
Topological Polar Surface Area	86.09
Polarizability	32.49
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95.33%	<7 Days	1448440-52-5		$112.20-$1,795.20$112.20$201.96$314.16$650.76$1,099.56$1,795.20

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	1448440-52-5		$160.15-$1,155.08$160.15$332.90$789.39$1,155.08