6-chloro-2-(4-propoxyphenyl)quinoline-4-carboxylic acid

6-chloro-2-(4-propoxyphenyl)quinoline-4-carboxylic acid

CAS: 494861-04-0

Formula: C19H16ClNO3

SMILES: CCCOC1=CC=C(C=C1)C1=CC(C(O)=O)=C2C=C(Cl)C=CC2=N1

IUPAC: 6-chloro-2-(4-propoxyphenyl)quinoline-4-carboxylic acid

InChI: InChI=1S/C19H16ClNO3/c1-2-9-24-14-6-3-12(4-7-14)18-11-16(19(22)23)15-10-13(20)5-8-17(15)21-18/h3-8,10-11H,2,9H2,1H3,(H,22,23)

Composition: C (66.77%), H (4.72%), Cl (10.37%), N (4.10%), O (14.04%)

Molar Mass: 341.79

Atom Count: 40

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	341.0818711
Formal Charge	0
FSP3	0.16
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WTMYSOIUNVSKQU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	92.54
Topological Polar Surface Area	59.42
Polarizability	38.29
Ring Count	3
Rotatable Bond Count	5

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