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

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

CAS: 438217-48-2

Formula: C20H19NO3

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

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

InChI: InChI=1S/C20H19NO3/c1-3-10-24-15-7-5-14(6-8-15)19-12-17(20(22)23)16-11-13(2)4-9-18(16)21-19/h4-9,11-12H,3,10H2,1-2H3,(H,22,23)

Composition: C (74.75%), H (5.96%), N (4.36%), O (14.93%)

Molar Mass: 321.376

Atom Count: 43

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	321.136493476
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QBSBOBRIDZZUBW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.78
Topological Polar Surface Area	59.42
Polarizability	38.24
Ring Count	3
Rotatable Bond Count	5

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