2-(5-ethylthiophen-2-yl)-8-methylquinoline-4-carboxylic acid

2-(5-ethylthiophen-2-yl)-8-methylquinoline-4-carboxylic acid

CAS: 438229-38-0

Formula: C17H15NO2S

SMILES: CCC1=CC=C(S1)C1=CC(C(O)=O)=C2C=CC=C(C)C2=N1

IUPAC: 2-(5-ethylthiophen-2-yl)-8-methylquinoline-4-carboxylic acid

InChI: InChI=1S/C17H15NO2S/c1-3-11-7-8-15(21-11)14-9-13(17(19)20)12-6-4-5-10(2)16(12)18-14/h4-9H,3H2,1-2H3,(H,19,20)

Composition: C (68.66%), H (5.08%), N (4.71%), O (10.76%), S (10.78%)

Molar Mass: 297.37

Atom Count: 36

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	297.082349901
Formal Charge	0
FSP3	0.18
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QKWLXGLRSOUDTL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	83.51
Topological Polar Surface Area	50.19
Polarizability	34.28
Ring Count	3
Rotatable Bond Count	3

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