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Home > Quinoline > 1005294-23-4
1005294-23-4 | BENZAMIDE, 4-METHOXY-N-[1,2,3,4-TETRAHYDRO-1-(2-METHYL-1-OXOPROPYL)-7-QUINOLINYL]-
CAS No: 1005294-23-4 Catalog No: AG00029O MDL No:
Product Description
Catalog Number:
AG00029O
Chemical Name:
BENZAMIDE, 4-METHOXY-N-[1,2,3,4-TETRAHYDRO-1-(2-METHYL-1-OXOPROPYL)-7-QUINOLINYL]-
CAS Number:
1005294-23-4
Molecular Formula:
C21H24N2O3
Molecular Weight:
352.4269
IUPAC Name:
4-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
InChI:
InChI=1S/C21H24N2O3/c1-14(2)21(25)23-12-4-5-15-6-9-17(13-19(15)23)22-20(24)16-7-10-18(26-3)11-8-16/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,24)
InChI Key:
NSBOCPNICOJLIP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)Nc1ccc2c(c1)N(CCC2)C(=O)C(C)C
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.179g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.434g/mol
Monoisotopic Mass:
352.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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