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Home > Quinoline > 1090542-32-7
1090542-32-7 | 1-{4-[3-(phenylmethylidene)-1H,2H,3H-cyclopenta[b]quinoline-9-carbonyl]piperazin-1-yl}ethan-1-one
CAS No: 1090542-32-7 Catalog No: AG01BHCM MDL No:MFCD28139589
Product Description
Catalog Number:
AG01BHCM
Chemical Name:
1-{4-[3-(phenylmethylidene)-1H,2H,3H-cyclopenta[b]quinoline-9-carbonyl]piperazin-1-yl}ethan-1-one
CAS Number:
1090542-32-7
Molecular Formula:
C26H25N3O2
Molecular Weight:
411.4956
MDL Number:
MFCD28139589
IUPAC Name:
1-[4-(3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl)piperazin-1-yl]ethanone
InChI:
InChI=1S/C26H25N3O2/c1-18(30)28-13-15-29(16-14-28)26(31)24-21-9-5-6-10-23(21)27-25-20(11-12-22(24)25)17-19-7-3-2-4-8-19/h2-10,17H,11-16H2,1H3
InChI Key:
LRYLVOAIPUFIOE-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCN(CC1)C(=O)c1c2CCC(=Cc3ccccc3)c2nc2c1cccc2
Properties
Complexity:
705
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.195g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.505g/mol
Monoisotopic Mass:
411.195g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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