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Home > Other Heterocycles > 1242268-29-6
1242268-29-6 | 7',8'-dimethoxy-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline] hydrochloride
CAS No: 1242268-29-6 Catalog No: AG00IZIC MDL No:MFCD16710287
Product Description
Catalog Number:
AG00IZIC
Chemical Name:
7',8'-dimethoxy-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline] hydrochloride
CAS Number:
1242268-29-6
Molecular Formula:
C17H22ClN3O2
Molecular Weight:
335.8285
MDL Number:
MFCD16710287
IUPAC Name:
7,8-dimethoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine];hydrochloride
InChI:
InChI=1S/C17H21N3O2.ClH/c1-21-14-10-12-13(11-15(14)22-2)20-9-3-4-16(20)17(19-12)5-7-18-8-6-17;/h3-4,9-11,18-19H,5-8H2,1-2H3;1H
InChI Key:
MALLZSXIQIUZQZ-UHFFFAOYSA-N
SMILES:
COc1cc2NC3(CCNCC3)c3n(c2cc1OC)ccc3.Cl
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.14g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
335.832g/mol
Monoisotopic Mass:
335.14g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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