2-(4-methylphenyl)quinoline-4-carboxylic acid

2-(4-methylphenyl)quinoline-4-carboxylic acid

CAS: 20389-05-3

Formula: C17H13NO2

SMILES: CC1=CC=C(C=C1)C1=NC2=CC=CC=C2C(=C1)C(O)=O

IUPAC: 2-(4-methylphenyl)quinoline-4-carboxylic acid

InChI: InChI=1S/C17H13NO2/c1-11-6-8-12(9-7-11)16-10-14(17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20)

Composition: C (77.55%), H (4.98%), N (5.32%), O (12.15%)

Molar Mass: 263.296

Atom Count: 33

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	263.094628663
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CKOMAFAOCHXEQX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.04
Topological Polar Surface Area	50.19
Polarizability	32.08
Ring Count	3
Rotatable Bond Count	2

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