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1803571-86-9 | tert-butyl N-[3-oxo-2-(quinolin-2-ylmethyl)propyl]carbamate
CAS No: 1803571-86-9 Catalog No: AG01BEWH MDL No:MFCD28063816
Product Description
Catalog Number:
AG01BEWH
Chemical Name:
tert-butyl N-[3-oxo-2-(quinolin-2-ylmethyl)propyl]carbamate
CAS Number:
1803571-86-9
Molecular Formula:
C18H22N2O3
Molecular Weight:
314.3789
MDL Number:
MFCD28063816
IUPAC Name:
tert-butyl N-(2-formyl-3-quinolin-2-ylpropyl)carbamate
InChI:
InChI=1S/C18H22N2O3/c1-18(2,3)23-17(22)19-11-13(12-21)10-15-9-8-14-6-4-5-7-16(14)20-15/h4-9,12-13H,10-11H2,1-3H3,(H,19,22)
InChI Key:
WUZGIEYYHBMEFL-UHFFFAOYSA-N
SMILES:
O=CC(Cc1ccc2c(n1)cccc2)CNC(=O)OC(C)(C)C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.385g/mol
Monoisotopic Mass:
314.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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