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1221723-29-0 | 2-methyl-4-(piperazine-1-carbonyl)quinoline dihydrochloride
CAS No: 1221723-29-0 Catalog No: AG01A80I MDL No:MFCD15209570
Product Description
Catalog Number:
AG01A80I
Chemical Name:
2-methyl-4-(piperazine-1-carbonyl)quinoline dihydrochloride
CAS Number:
1221723-29-0
Molecular Formula:
C15H19Cl2N3O
Molecular Weight:
328.2369
MDL Number:
MFCD15209570
IUPAC Name:
(2-methylquinolin-4-yl)-piperazin-1-ylmethanone;dihydrochloride
InChI:
InChI=1S/C15H17N3O.2ClH/c1-11-10-13(12-4-2-3-5-14(12)17-11)15(19)18-8-6-16-7-9-18;;/h2-5,10,16H,6-9H2,1H3;2*1H
InChI Key:
PQGHLXNSEHEAPF-UHFFFAOYSA-N
SMILES:
Cc1nc2ccccc2c(c1)C(=O)N1CCNCC1.Cl.Cl
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.091g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
328.237g/mol
Monoisotopic Mass:
327.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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