8-chloro-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid

8-chloro-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid

CAS: 863185-08-4

Formula: C20H18ClNO3

SMILES: CC(C)COC1=CC=CC(=C1)C1=CC(C(O)=O)=C2C=CC=C(Cl)C2=N1

IUPAC: 8-chloro-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid

InChI: InChI=1S/C20H18ClNO3/c1-12(2)11-25-14-6-3-5-13(9-14)18-10-16(20(23)24)15-7-4-8-17(21)19(15)22-18/h3-10,12H,11H2,1-2H3,(H,23,24)

Composition: C (67.51%), H (5.10%), Cl (9.96%), N (3.94%), O (13.49%)

Molar Mass: 355.82

Atom Count: 43

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	355.0975211
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WFNOKPVMROLMPQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	97.01
Topological Polar Surface Area	59.42
Polarizability	40.17
Ring Count	3
Rotatable Bond Count	5

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