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20353-59-7

20353-59-7 | Pyrrolo[2,1-a]isoquinoline-3-carboxylic acid, 5,6-dihydro-8,9-dimethoxy-2-methyl-, 2-(dimethylamino)ethyl ester

CAS No: 20353-59-7 Catalog No: AG0028Z2 MDL No:

Product Description

Catalog Number:
AG0028Z2
Chemical Name:
Pyrrolo[2,1-a]isoquinoline-3-carboxylic acid, 5,6-dihydro-8,9-dimethoxy-2-methyl-, 2-(dimethylamino)ethyl ester
CAS Number:
20353-59-7
Molecular Formula:
C20H26N2O4
Molecular Weight:
358.4314
IUPAC Name:
2-(dimethylamino)ethyl 8,9-dimethoxy-2-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
InChI:
InChI=1S/C20H26N2O4/c1-13-10-16-15-12-18(25-5)17(24-4)11-14(15)6-7-22(16)19(13)20(23)26-9-8-21(2)3/h10-12H,6-9H2,1-5H3
InChI Key:
JDEAOXCSTNVEMQ-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCn1c2cc(c1C(=O)OCCN(C)C)C

Properties

Complexity:
486  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.189g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.438g/mol
Monoisotopic Mass:
358.189g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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