Home Aminos 4-(7-(Dimethylamino)-3-m-tolylisoquinolin-1-ylamino)-4-oxobutanoic acid

4-(7-(Dimethylamino)-3-m-tolylisoquinolin-1-ylamino)-4-oxobutanoic acid

CAS No.:
1415564-54-3
Catalog Number:
AG01D8U9
Molecular Formula:
C22H23N3O3
Molecular Weight:
377.4363
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Product Description
Catalog Number:
AG01D8U9
Chemical Name:
4-(7-(Dimethylamino)-3-m-tolylisoquinolin-1-ylamino)-4-oxobutanoic acid
CAS Number:
1415564-54-3
Molecular Formula:
C22H23N3O3
Molecular Weight:
377.4363
MDL Number:
MFCD22124599
IUPAC Name:
4-[[7-(dimethylamino)-3-(3-methylphenyl)isoquinolin-1-yl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C22H23N3O3/c1-14-5-4-6-16(11-14)19-12-15-7-8-17(25(2)3)13-18(15)22(23-19)24-20(26)9-10-21(27)28/h4-8,11-13H,9-10H2,1-3H3,(H,27,28)(H,23,24,26)
InChI Key:
BXMOTOWNHCSFSP-UHFFFAOYSA-N
SMILES:
O=C(Nc1nc(cc2c1cc(cc2)N(C)C)c1cccc(c1)C)CCC(=O)O
Properties
Complexity:
553  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.174g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
377.444g/mol
Monoisotopic Mass:
377.174g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties