methyl 2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carboxylate

methyl 2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carboxylate

CAS: 121659-86-7

Formula: C20H16FNO2

SMILES: COC(=O)C1=C(C2=CC=C(F)C=C2)C2=CC=CC=C2N=C1C1CC1

IUPAC: methyl 2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carboxylate

InChI: InChI=1S/C20H16FNO2/c1-24-20(23)18-17(12-8-10-14(21)11-9-12)15-4-2-3-5-16(15)22-19(18)13-6-7-13/h2-5,8-11,13H,6-7H2,1H3

Composition: C (74.75%), H (5.02%), F (5.91%), N (4.36%), O (9.96%)

Molar Mass: 321.351

Atom Count: 40

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	321.116506922
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RNXQZVFWKIPEOJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.35
Topological Polar Surface Area	39.19
Polarizability	36.71
Ring Count	4
Rotatable Bond Count	4

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