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6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid

6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid

CAS: 438216-88-7

Formula: C16H13NO2S

SMILES: CC1=CC=C(S1)C1=CC(C(O)=O)=C2C=C(C)C=CC2=N1

IUPAC: 6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid

InChI: InChI=1S/C16H13NO2S/c1-9-3-5-13-11(7-9)12(16(18)19)8-14(17-13)15-6-4-10(2)20-15/h3-8H,1-2H3,(H,18,19)

Composition: C (67.82%), H (4.62%), N (4.94%), O (11.29%), S (11.31%)

Molar Mass: 283.35

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 283.066699837
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PKESNVDYVIHEIG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.99
Topological Polar Surface Area 50.19
Polarizability 32.43
Ring Count 3
Rotatable Bond Count 2

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