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2-(1-ethyl-2-methylquinolin-4-ylidene)propanedinitrile

2-(1-ethyl-2-methylquinolin-4-ylidene)propanedinitrile

CAS: 1402299-58-4

Formula: C15H13N3

SMILES: CCN1C(C)=CC(=C(C#N)C#N)C2=C1C=CC=C2

IUPAC: 2-(1-ethyl-2-methyl-1,4-dihydroquinolin-4-ylidene)propanedinitrile

InChI: InChI=1S/C15H13N3/c1-3-18-11(2)8-14(12(9-16)10-17)13-6-4-5-7-15(13)18/h4-8H,3H2,1-2H3

Composition: C (76.57%), H (5.57%), N (17.86%)

Molar Mass: 235.29

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 235.110947431
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey HWSXOYAXORLZLH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.73
Topological Polar Surface Area 50.82
Polarizability 26.51
Ring Count 2
Rotatable Bond Count 1

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