6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid

6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid

CAS: 438221-81-9

Formula: C21H21NO3

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

IUPAC: 6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid

InChI: InChI=1S/C21H21NO3/c1-13(2)12-25-16-6-4-5-15(10-16)20-11-18(21(23)24)17-9-14(3)7-8-19(17)22-20/h4-11,13H,12H2,1-3H3,(H,23,24)

Composition: C (75.20%), H (6.31%), N (4.18%), O (14.31%)

Molar Mass: 335.403

Atom Count: 46

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	335.15214354
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KQCMTINULIFPGT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	97.25
Topological Polar Surface Area	59.42
Polarizability	40.09
Ring Count	3
Rotatable Bond Count	5

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