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Home > Quinoline > 1159826-01-3
1159826-01-3 | 4-(4-Boc-Piperazin-1-ylmethyl)-2-oxo-quinoline
CAS No: 1159826-01-3 Catalog No: AG00HD6C MDL No:
Product Description
Catalog Number:
AG00HD6C
Chemical Name:
4-(4-Boc-Piperazin-1-ylmethyl)-2-oxo-quinoline
CAS Number:
1159826-01-3
Molecular Formula:
C19H25N3O3
Molecular Weight:
343.4201
IUPAC Name:
tert-butyl 4-[(2-oxo-1H-quinolin-4-yl)methyl]piperazine-1-carboxylate
InChI:
InChI=1S/C19H25N3O3/c1-19(2,3)25-18(24)22-10-8-21(9-11-22)13-14-12-17(23)20-16-7-5-4-6-15(14)16/h4-7,12H,8-11,13H2,1-3H3,(H,20,23)
InChI Key:
KBXRHCXKJSMSEV-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)Cc1cc(=O)[nH]c2c1cccc2)OC(C)(C)C
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.19g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.427g/mol
Monoisotopic Mass:
343.19g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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