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7142-93-0 | 2-phenylquinoline-4-carboxylic acid- 2,6-dimethylpiperazine(1:1)
CAS No: 7142-93-0 Catalog No: AG005ILG MDL No:
Product Description
Catalog Number:
AG005ILG
Chemical Name:
2-phenylquinoline-4-carboxylic acid- 2,6-dimethylpiperazine(1:1)
CAS Number:
7142-93-0
Molecular Formula:
C22H25N3O2
Molecular Weight:
363.4528
IUPAC Name:
2,6-dimethylpiperazine;2-phenylquinoline-4-carboxylic acid
InChI:
InChI=1S/C16H11NO2.C6H14N2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;1-5-3-7-4-6(2)8-5/h1-10H,(H,18,19);5-8H,3-4H2,1-2H3
InChI Key:
HWVWVCZWLFULQF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(nc2c1cccc2)c1ccccc1.CC1CNCC(N1)C
NSC Number:
42117
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.195g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
363.461g/mol
Monoisotopic Mass:
363.195g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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