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106649-71-2 | 1H-Indeno[5,4-f]quinoline-7-carboxamide,N,N-diethyl-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1-methoxy-4a,6a-dimethyl-2-oxo-,(4aR,4bS,6aS,7S,9aS,9bS)-
CAS No: 106649-71-2 Catalog No: AG007UK2 MDL No:
Product Description
Catalog Number:
AG007UK2
Chemical Name:
1H-Indeno[5,4-f]quinoline-7-carboxamide,N,N-diethyl-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1-methoxy-4a,6a-dimethyl-2-oxo-,(4aR,4bS,6aS,7S,9aS,9bS)-
CAS Number:
106649-71-2
Molecular Formula:
C24H38N2O3
Molecular Weight:
402.5701
IUPAC Name:
(3aS,3bS,9aR,9bS,11aS)-N,N-diethyl-6-methoxy-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
InChI:
InChI=1S/C24H38N2O3/c1-6-25(7-2)22(28)19-10-9-17-16-8-11-20-24(4,15-13-21(27)26(20)29-5)18(16)12-14-23(17,19)3/h11,16-19H,6-10,12-15H2,1-5H3/t16-,17-,18-,19?,23-,24+/m0/s1
InChI Key:
DYDCSACBLWQNAH-LCGFWRJVSA-N
SMILES:
CCN(C(=O)C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2OC)CC
Properties
Complexity:
715
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
402.288g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.579g/mol
Monoisotopic Mass:
402.288g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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