Name: Name:6-Quinoxalinecarboxylicacid,2,3-diethyl-(9CI)
Brand: Angene
SKU: AG00G227
Rating: 90 (10 reviews)

6-Quinoxalinecarboxylicacid,2,3-diethyl-(9CI)

CAS No.:

694506-87-1

Catalog Number:

AG00G227

Molecular Formula:

C13H14N2O2

Molecular Weight:

230.2625

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Product Description

Catalog Number:

AG00G227

Chemical Name:

6-Quinoxalinecarboxylicacid,2,3-diethyl-(9CI)

CAS Number:

694506-87-1

Molecular Formula:

C13H14N2O2

Molecular Weight:

230.2625

MDL Number:

MFCD03450169

IUPAC Name:

2,3-diethylquinoxaline-6-carboxylic acid

InChI:

InChI=1S/C13H14N2O2/c1-3-9-10(4-2)15-12-7-8(13(16)17)5-6-11(12)14-9/h5-7H,3-4H2,1-2H3,(H,16,17)

InChI Key:

PPDTZYUTKIMTJM-UHFFFAOYSA-N

SMILES:

CCc1nc2cc(ccc2nc1CC)C(=O)O

Properties

Complexity:

283

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

230.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.267g/mol

Monoisotopic Mass:

230.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Properties