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102149-29-1 | Propanamide, N-butyl-2-[(7-chloro-4-quinolinyl)amino]-
CAS No: 102149-29-1 Catalog No: AG0006RA MDL No:
Product Description
Catalog Number:
AG0006RA
Chemical Name:
Propanamide, N-butyl-2-[(7-chloro-4-quinolinyl)amino]-
CAS Number:
102149-29-1
Molecular Formula:
C16H20ClN3O
Molecular Weight:
305.8025
IUPAC Name:
N-butyl-2-[(7-chloroquinolin-4-yl)amino]propanamide
InChI:
InChI=1S/C16H20ClN3O/c1-3-4-8-19-16(21)11(2)20-14-7-9-18-15-10-12(17)5-6-13(14)15/h5-7,9-11H,3-4,8H2,1-2H3,(H,18,20)(H,19,21)
InChI Key:
ZBFLWUVCILIZGY-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)C(Nc1ccnc2c1ccc(c2)Cl)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.129g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.806g/mol
Monoisotopic Mass:
305.129g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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