2-(3-butoxyphenyl)-6-methylquinoline-4-carboxylic acid

2-(3-butoxyphenyl)-6-methylquinoline-4-carboxylic acid

CAS: 932928-74-0

Formula: C21H21NO3

SMILES: CCCCOC1=CC=CC(=C1)C1=CC(C(O)=O)=C2C=C(C)C=CC2=N1

IUPAC: 2-(3-butoxyphenyl)-6-methylquinoline-4-carboxylic acid

InChI: InChI=1S/C21H21NO3/c1-3-4-10-25-16-7-5-6-15(12-16)20-13-18(21(23)24)17-11-14(2)8-9-19(17)22-20/h5-9,11-13H,3-4,10H2,1-2H3,(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	SSRGVEWUSAPTIF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	97.38
Topological Polar Surface Area	59.42
Polarizability	40.09
Ring Count	3
Rotatable Bond Count	6

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