1-(pyridin-4-yl)-3-[7-(trifluoromethyl)quinolin-2-yl]prop-2-en-1-one

1-(pyridin-4-yl)-3-[7-(trifluoromethyl)quinolin-2-yl]prop-2-en-1-one

CAS: 1462249-75-7

Formula: C18H11F3N2O

SMILES: FC(F)(F)C1=CC2=NC(C=CC(=O)C3=CC=NC=C3)=CC=C2C=C1

IUPAC: 1-(pyridin-4-yl)-3-[7-(trifluoromethyl)quinolin-2-yl]prop-2-en-1-one

InChI: InChI=1S/C18H11F3N2O/c19-18(20,21)14-3-1-12-2-4-15(23-16(12)11-14)5-6-17(24)13-7-9-22-10-8-13/h1-11H

Composition: C (65.85%), H (3.38%), F (17.36%), N (8.53%), O (4.87%)

Molar Mass: 328.294

Atom Count: 35

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	328.082347471
Formal Charge	0
FSP3	0.06
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	IAJOMYABKVAZCN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.17
Topological Polar Surface Area	42.85
Polarizability	31.91
Ring Count	3
Rotatable Bond Count	4

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