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

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

CAS: 159782-19-1

Formula: C17H13NO3

SMILES: COC1=CC=CC(=C1)C1=NC2=CC=CC=C2C(=C1)C(O)=O

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

InChI: InChI=1S/C17H13NO3/c1-21-12-6-4-5-11(9-12)16-10-14(17(19)20)13-7-2-3-8-15(13)18-16/h2-10H,1H3,(H,19,20)

Composition: C (73.11%), H (4.69%), N (5.02%), O (17.19%)

Molar Mass: 279.295

Atom Count: 34

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	279.089543283
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YBOFRTWITLNSGS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.46
Topological Polar Surface Area	59.42
Polarizability	32.79
Ring Count	3
Rotatable Bond Count	3

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