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Home > Indoles and Oxindole > 820977-27-3
820977-27-3 | Quinoline, 2-methoxy-3-[5-(1-piperazinylmethyl)-1H-indol-2-yl]-
CAS No: 820977-27-3 Catalog No: AG005BWW MDL No:
Product Description
Catalog Number:
AG005BWW
Chemical Name:
Quinoline, 2-methoxy-3-[5-(1-piperazinylmethyl)-1H-indol-2-yl]-
CAS Number:
820977-27-3
Molecular Formula:
C23H24N4O
Molecular Weight:
372.4629
IUPAC Name:
2-methoxy-3-[5-(piperazin-1-ylmethyl)-1H-indol-2-yl]quinoline
InChI:
InChI=1S/C23H24N4O/c1-28-23-19(13-17-4-2-3-5-20(17)26-23)22-14-18-12-16(6-7-21(18)25-22)15-27-10-8-24-9-11-27/h2-7,12-14,24-25H,8-11,15H2,1H3
InChI Key:
DOJAUXABQKQJSJ-UHFFFAOYSA-N
SMILES:
COc1nc2ccccc2cc1c1cc2c([nH]1)ccc(c2)CN1CCNCC1
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.195g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
372.472g/mol
Monoisotopic Mass:
372.195g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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