Name: Name:3-Quinolinecarboxylic acid, 2-cyclopropyl-4-(4-fluorophenyl)-, methyl ester
Brand: Angene
SKU: AG0015HR
Rating: 90 (10 reviews)

3-Quinolinecarboxylic acid, 2-cyclopropyl-4-(4-fluorophenyl)-, methyl ester

CAS No.:

121659-86-7

Catalog Number:

AG0015HR

Molecular Formula:

C20H16FNO2

Molecular Weight:

321.3449

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Product Description

Catalog Number:

AG0015HR

Chemical Name:

3-Quinolinecarboxylic acid, 2-cyclopropyl-4-(4-fluorophenyl)-, methyl ester

CAS Number:

121659-86-7

Molecular Formula:

C20H16FNO2

Molecular Weight:

321.3449

MDL Number:

MFCD11041028

IUPAC Name:

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

InChI Key:

RNXQZVFWKIPEOJ-UHFFFAOYSA-N

SMILES:

COC(=O)c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1

EC Number:

601-796-8

Properties

Complexity:

459

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

321.117g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

321.351g/mol

Monoisotopic Mass:

321.117g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

39.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3

Literature

Title	Journal
[2-Cyclo-propyl-4-(4-fluoro-phenyl)quinolin-3-yl]methanol.	Acta crystallographica. Section E, Structure reports online 20101101

Properties