6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid

6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid

CAS: 438219-40-0

Formula: C21H21NO2

SMILES: CC(C)CC1=CC=C(C=C1)C1=CC(C(O)=O)=C2C=C(C)C=CC2=N1

IUPAC: 6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid

InChI: InChI=1S/C21H21NO2/c1-13(2)10-15-5-7-16(8-6-15)20-12-18(21(23)24)17-11-14(3)4-9-19(17)22-20/h4-9,11-13H,10H2,1-3H3,(H,23,24)

Composition: C (78.97%), H (6.63%), N (4.39%), O (10.02%)

Molar Mass: 319.404

Atom Count: 45

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	319.15722892
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	AVOIZRYKJIMNGR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	95.83
Topological Polar Surface Area	50.19
Polarizability	39.39
Ring Count	3
Rotatable Bond Count	4

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