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1009821-06-0 | 5-((3-Ethynylphenyl)amino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CAS No: 1009821-06-0 Catalog No: AG0003DD MDL No:MFCD11977745
Product Description
Catalog Number:
AG0003DD
Chemical Name:
5-((3-Ethynylphenyl)amino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CAS Number:
1009821-06-0
Molecular Formula:
C20H12N4O2
Molecular Weight:
340.3349
MDL Number:
MFCD11977745
IUPAC Name:
5-(3-ethynylanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid
InChI:
InChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26)
InChI Key:
HJGFPNFAFSFDNN-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1)Nc1nc2cc(ccc2c2c1ncnc2)C(=O)O
UNII:
GY6276ICQJ
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.096g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.342g/mol
Monoisotopic Mass:
340.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer. | Biochemistry 20111004 |
| Novel potent pyrimido[4,5-c]quinoline inhibitors of protein kinase CK2: SAR and preliminary assessment of their analgesic and anti-viral properties. | Bioorganic & medicinal chemistry letters 20110315 |
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