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33852-25-4 | 13H-Pyrido[1',2':3,4]imidazo[2,1-b]quinazolin-13-one,7,8,9,10,10a,11-hexahydro-2,3-dimethoxy-
CAS No: 33852-25-4 Catalog No: AG007IN0 MDL No:
Product Description
Catalog Number:
AG007IN0
Chemical Name:
13H-Pyrido[1',2':3,4]imidazo[2,1-b]quinazolin-13-one,7,8,9,10,10a,11-hexahydro-2,3-dimethoxy-
CAS Number:
33852-25-4
Molecular Formula:
C16H19N3O3
Molecular Weight:
301.3404
IUPAC Name:
5,6-dimethoxy-1,9,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9-tetraen-2-one
InChI:
InChI=1S/C16H19N3O3/c1-21-13-7-11-12(8-14(13)22-2)17-16-18-6-4-3-5-10(18)9-19(16)15(11)20/h7-8,10H,3-6,9H2,1-2H3
InChI Key:
UUQZDQWAJRVIOF-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)nc1n(c2=O)CC2N1CCCC2
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.143g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.346g/mol
Monoisotopic Mass:
301.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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