Name: Name:3-Quinolinecarboxylic acid,7-bromo-1-cyclopropyl-1,4-dihydro-8-methyl-4-oxo-, ethyl ester
Brand: Angene
SKU: AG01DTQ6
Rating: 90 (10 reviews)

3-Quinolinecarboxylic acid,7-bromo-1-cyclopropyl-1,4-dihydro-8-methyl-4-oxo-, ethyl ester

CAS No.:

194805-04-4

Catalog Number:

AG01DTQ6

Molecular Formula:

C16H16BrNO3

Molecular Weight:

350.2071

Catalog Number:

AG01DTQ6

Chemical Name:

3-Quinolinecarboxylic acid,7-bromo-1-cyclopropyl-1,4-dihydro-8-methyl-4-oxo-, ethyl ester

CAS Number:

194805-04-4

Molecular Formula:

C16H16BrNO3

Molecular Weight:

350.2071

IUPAC Name:

ethyl 7-bromo-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylate

InChI:

InChI=1S/C16H16BrNO3/c1-3-21-16(20)12-8-18(10-4-5-10)14-9(2)13(17)7-6-11(14)15(12)19/h6-8,10H,3-5H2,1-2H3

InChI Key:

NSAIANPWRHILKT-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cn(C2CC2)c2c(c1=O)ccc(c2C)Br

Complexity:

486

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

349.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

350.212g/mol

Monoisotopic Mass:

349.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7