4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline

4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline

CAS: 401566-43-6

Formula: C15H16F3N3

SMILES: FC(F)(F)C1=NC2=CC=CC=C2C(=C1)N1CCCNCC1

IUPAC: 4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline

InChI: InChI=1S/C15H16F3N3/c16-15(17,18)14-10-13(21-8-3-6-19-7-9-21)11-4-1-2-5-12(11)20-14/h1-2,4-5,10,19H,3,6-9H2

Composition: C (61.01%), H (5.46%), F (19.30%), N (14.23%)

Molar Mass: 295.309

Atom Count: 37

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	295.129632016
Formal Charge	0
FSP3	0.4
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WAYXOCDRUHABFK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.63
Topological Polar Surface Area	28.16
Polarizability	29.03
Ring Count	3
Rotatable Bond Count	2

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