5-chloro-7-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}quinolin-8-ol

5-chloro-7-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}quinolin-8-ol

CAS: 315698-36-3

Formula: C19H19ClN4O

SMILES: OC1=C2N=CC=CC2=C(Cl)C=C1CN1CCN(CC1)C1=NC=CC=C1

IUPAC: 5-chloro-7-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}quinolin-8-ol

InChI: InChI=1S/C19H19ClN4O/c20-16-12-14(19(25)18-15(16)4-3-7-22-18)13-23-8-10-24(11-9-23)17-5-1-2-6-21-17/h1-7,12,25H,8-11,13H2

Composition: C (64.31%), H (5.40%), Cl (9.99%), N (15.79%), O (4.51%)

Molar Mass: 354.84

Atom Count: 44

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	354.1247389
Formal Charge	0
FSP3	0.26
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	OPEJNANYABTIGC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.01
Topological Polar Surface Area	52.49
Polarizability	39.26
Ring Count	4
Rotatable Bond Count	3

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