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63134-09-8 | N-[(1-Ethyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinolin)-7-yl]propanamide
CAS No: 63134-09-8 Catalog No: AG00F5SB MDL No:MFCD00100985
Product Description
Catalog Number:
AG00F5SB
Chemical Name:
N-[(1-Ethyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinolin)-7-yl]propanamide
CAS Number:
63134-09-8
Molecular Formula:
C17H26N2O
Molecular Weight:
274.4011
MDL Number:
MFCD00100985
IUPAC Name:
N-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-7-yl)propanamide
InChI:
InChI=1S/C17H26N2O/c1-6-16(20)18-13-8-9-14-12(3)11-17(4,5)19(7-2)15(14)10-13/h8-10,12H,6-7,11H2,1-5H3,(H,18,20)
InChI Key:
AEFPWLPDOOECGX-UHFFFAOYSA-N
SMILES:
CCC(=O)Nc1ccc2c(c1)N(CC)C(CC2C)(C)C
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.205g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.408g/mol
Monoisotopic Mass:
274.205g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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