3-methyl-2-phenylquinoline-4-carboxylic acid

3-methyl-2-phenylquinoline-4-carboxylic acid

CAS: 43071-45-0

Formula: C17H13NO2

SMILES: CC1=C(C(O)=O)C2=CC=CC=C2N=C1C1=CC=CC=C1

IUPAC: 3-methyl-2-phenylquinoline-4-carboxylic acid

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