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2-(4-chlorophenyl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)quinoline-4-carboxamide

2-(4-chlorophenyl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)quinoline-4-carboxamide

Formula: C24H18ClN3OS

SMILES: CCC1=C(C)SC(NC(=O)C2=CC(=NC3=CC=CC=C23)C2=CC=C(Cl)C=C2)=C1C#N

IUPAC: 2-(4-chlorophenyl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)quinoline-4-carboxamide

InChI: InChI=1S/C24H18ClN3OS/c1-3-17-14(2)30-24(20(17)13-26)28-23(29)19-12-22(15-8-10-16(25)11-9-15)27-21-7-5-4-6-18(19)21/h4-12H,3H2,1-2H3,(H,28,29)

Composition: C (66.74%), H (4.20%), Cl (8.21%), N (9.73%), O (3.70%), S (7.42%)

Molar Mass: 431.94

Atom Count: 48

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 431.0859111
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey UGMRGPNYNZMBEU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 121.77
Topological Polar Surface Area 65.78
Polarizability 48.24
Ring Count 4
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H18ClN3OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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