2-(4-methoxyphenyl)-3-methylquinoline-4-carboxylic acid

2-(4-methoxyphenyl)-3-methylquinoline-4-carboxylic acid

CAS: 108717-24-4

Formula: C18H15NO3

SMILES: COC1=CC=C(C=C1)C1=C(C)C(C(O)=O)=C2C=CC=CC2=N1

IUPAC: 2-(4-methoxyphenyl)-3-methylquinoline-4-carboxylic acid

InChI: InChI=1S/C18H15NO3/c1-11-16(18(20)21)14-5-3-4-6-15(14)19-17(11)12-7-9-13(22-2)10-8-12/h3-10H,1-2H3,(H,20,21)

Composition: C (73.71%), H (5.15%), N (4.78%), O (16.36%)

Molar Mass: 293.322

Atom Count: 37

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	293.105193347
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	IYWWVUCWJCSYFI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.5
Topological Polar Surface Area	59.42
Polarizability	34.55
Ring Count	3
Rotatable Bond Count	3

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