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1216394-63-6 | 2(1H)-Quinolinone, 7-[4-[[2-[(2,3-dichlorophenyl)amino]ethyl]amino]butoxy]-3,4-dihydro-
CAS No: 1216394-63-6 Catalog No: AG0015G9 MDL No:
Product Description
Catalog Number:
AG0015G9
Chemical Name:
2(1H)-Quinolinone, 7-[4-[[2-[(2,3-dichlorophenyl)amino]ethyl]amino]butoxy]-3,4-dihydro-
CAS Number:
1216394-63-6
Molecular Formula:
C21H25Cl2N3O2
Molecular Weight:
422.3481
IUPAC Name:
7-[4-[2-(2,3-dichloroanilino)ethylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one
InChI:
InChI=1S/C21H25Cl2N3O2/c22-17-4-3-5-18(21(17)23)25-12-11-24-10-1-2-13-28-16-8-6-15-7-9-20(27)26-19(15)14-16/h3-6,8,14,24-25H,1-2,7,9-13H2,(H,26,27)
InChI Key:
JYRMMVXVCMXLIK-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N1)cc(cc2)OCCCCNCCNc1cccc(c1Cl)Cl
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.132g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
422.35g/mol
Monoisotopic Mass:
421.132g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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