6,8-dimethyl-2-(4-propoxyphenyl)quinoline-4-carboxylic acid

6,8-dimethyl-2-(4-propoxyphenyl)quinoline-4-carboxylic acid

CAS: 587851-88-5

Formula: C21H21NO3

SMILES: CCCOC1=CC=C(C=C1)C1=CC(C(O)=O)=C2C=C(C)C=C(C)C2=N1

IUPAC: 6,8-dimethyl-2-(4-propoxyphenyl)quinoline-4-carboxylic acid

InChI: InChI=1S/C21H21NO3/c1-4-9-25-16-7-5-15(6-8-16)19-12-18(21(23)24)17-11-13(2)10-14(3)20(17)22-19/h5-8,10-12H,4,9H2,1-3H3,(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	GTKUXPMPVNLDGL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	97.82
Topological Polar Surface Area	59.42
Polarizability	40.01
Ring Count	3
Rotatable Bond Count	5

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	587851-88-5		$101.60$101.60