CAS 405923-50-4 | 7-Chloro-4-hydroxy-8-methylquinoline-3-carboxylic acid | CAS Number 405923-50-4

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405923-50-4 | 7-Chloro-4-hydroxy-8-methylquinoline-3-carboxylic acid

CAS No: 405923-50-4 Catalog No: AG003NEH MDL No:MFCD02179783

Product Description

Catalog Number:

AG003NEH

Chemical Name:

7-Chloro-4-hydroxy-8-methylquinoline-3-carboxylic acid

CAS Number:

405923-50-4

Molecular Formula:

C11H8ClNO3

Molecular Weight:

237.6391

MDL Number:

MFCD02179783

IUPAC Name:

7-chloro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid

InChI:

InChI=1S/C11H8ClNO3/c1-5-8(12)3-2-6-9(5)13-4-7(10(6)14)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16)

InChI Key:

KIGXAPARJYAEQL-UHFFFAOYSA-N

SMILES:

OC(=O)c1cnc2c(c1O)ccc(c2C)Cl

NSC Number:

157568

Properties

Complexity:

366

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.019g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.639g/mol

Monoisotopic Mass:

237.019g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Evaluation of 3-carboxy-4(1H)-quinolones as inhibitors of human protein kinase CK2.	Journal of medicinal chemistry 20061102