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Home > Bromides > 1369532-69-3
1369532-69-3 | 2H-Imidazo[4,5-c]quinolin-2-one, 8-bromo-1,3-dihydro-1-[(2S)-2-methoxypropyl]-
CAS No: 1369532-69-3 Catalog No: AG0012LE MDL No:
Product Description
Catalog Number:
AG0012LE
Chemical Name:
2H-Imidazo[4,5-c]quinolin-2-one, 8-bromo-1,3-dihydro-1-[(2S)-2-methoxypropyl]-
CAS Number:
1369532-69-3
Molecular Formula:
C14H14BrN3O2
Molecular Weight:
336.1839
IUPAC Name:
8-bromo-1-[(2S)-2-methoxypropyl]-3H-imidazo[4,5-c]quinolin-2-one
InChI:
InChI=1S/C14H14BrN3O2/c1-8(20-2)7-18-13-10-5-9(15)3-4-11(10)16-6-12(13)17-14(18)19/h3-6,8H,7H2,1-2H3,(H,17,19)/t8-/m0/s1
InChI Key:
SJVSNQJOFQKUGC-QMMMGPOBSA-N
SMILES:
CO[C@H](Cn1c(=O)[nH]c2c1c1cc(Br)ccc1nc2)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
335.027g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.189g/mol
Monoisotopic Mass:
335.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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