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123157-60-8 | 2-Quinolinecarboxylic acid, 7-chloro-1,4-dihydro-5-iodo-4-oxo-
CAS No: 123157-60-8 Catalog No: AG000K31 MDL No:
Product Description
Catalog Number:
AG000K31
Chemical Name:
2-Quinolinecarboxylic acid, 7-chloro-1,4-dihydro-5-iodo-4-oxo-
CAS Number:
123157-60-8
Molecular Formula:
C10H5ClINO3
Molecular Weight:
349.5091
IUPAC Name:
7-chloro-5-iodo-4-oxo-1H-quinoline-2-carboxylic acid
InChI:
InChI=1S/C10H5ClINO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
InChI Key:
YXXRRQFCBIAGLD-UHFFFAOYSA-N
SMILES:
Clc1cc(I)c2c(c1)[nH]c(cc2=O)C(=O)O
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.9g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.508g/mol
Monoisotopic Mass:
348.9g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| 3'-(Arylmethyl)- and 3'-(aryloxy)-3-phenyl-4-hydroxyquinolin-2(1H)-ones: orally active antagonists of the glycine site on the NMDA receptor. | Journal of medicinal chemistry 19940513 |
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