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1259224-07-1 | 1(2H)-Quinolinecarboxylic acid, 3-(acetylaMino)-3,4-dihydro-, 1,1-diMethylethyl ester
CAS No: 1259224-07-1 Catalog No: AG000OZB MDL No:
Product Description
Catalog Number:
AG000OZB
Chemical Name:
1(2H)-Quinolinecarboxylic acid, 3-(acetylaMino)-3,4-dihydro-, 1,1-diMethylethyl ester
CAS Number:
1259224-07-1
Molecular Formula:
C16H22N2O3
Molecular Weight:
290.3575
IUPAC Name:
tert-butyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate
InChI:
InChI=1S/C16H22N2O3/c1-11(19)17-13-9-12-7-5-6-8-14(12)18(10-13)15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,19)
InChI Key:
ODVIBBIJXMZYKO-UHFFFAOYSA-N
SMILES:
CC(=O)NC1Cc2ccccc2N(C1)C(=O)OC(C)(C)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.363g/mol
Monoisotopic Mass:
290.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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