CAS 161185-28-0 | 6-ethyl-4-hydroxy-2H,5H,6H-pyrano[3,2-c]quinoline-2,5-dione | CAS Number 161185-28-0

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161185-28-0 | 6-ethyl-4-hydroxy-2H,5H,6H-pyrano[3,2-c]quinoline-2,5-dione

CAS No: 161185-28-0 Catalog No: AG00IQSF MDL No:MFCD00226537

Product Description

Catalog Number:

AG00IQSF

Chemical Name:

6-ethyl-4-hydroxy-2H,5H,6H-pyrano[3,2-c]quinoline-2,5-dione

CAS Number:

161185-28-0

Molecular Formula:

C14H11NO4

Molecular Weight:

257.2414

MDL Number:

MFCD00226537

IUPAC Name:

6-ethyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione

InChI:

InChI=1S/C14H11NO4/c1-2-15-9-6-4-3-5-8(9)13-12(14(15)18)10(16)7-11(17)19-13/h3-7,16H,2H2,1H3

InChI Key:

QXLFCAOVWBNKOW-UHFFFAOYSA-N

SMILES:

CCn1c2ccccc2c2c(c1=O)c(O)cc(=O)o2

Properties

Complexity:

506

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.245g/mol

Monoisotopic Mass:

257.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

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