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4-chloro-6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinoline-3-carbonitrile

4-chloro-6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinoline-3-carbonitrile

CAS: 214487-30-6

Formula: C18H20ClN3O3

SMILES: COC1=CC2=C(Cl)C(=CN=C2C=C1OCCCN1CCOCC1)C#N

IUPAC: 4-chloro-6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinoline-3-carbonitrile

InChI: InChI=1S/C18H20ClN3O3/c1-23-16-9-14-15(21-12-13(11-20)18(14)19)10-17(16)25-6-2-3-22-4-7-24-8-5-22/h9-10,12H,2-8H2,1H3

Composition: C (59.75%), H (5.57%), Cl (9.80%), N (11.61%), O (13.27%)

Molar Mass: 361.83

Atom Count: 45

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 361.1193192
Formal Charge 0
FSP3 0.44
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey PKRCOKRBEJMDCG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.39
Topological Polar Surface Area 67.61
Polarizability 38.24
Ring Count 3
Rotatable Bond Count 6

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