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33852-22-1 | 3-methyl-7,8,9,10,10a,11-hexahydro-13h-pyrido[1',2':3,4]imidazo[2,1-b]quinazolin-13-one
CAS No: 33852-22-1 Catalog No: AG007IN1 MDL No:
Product Description
Catalog Number:
AG007IN1
Chemical Name:
3-methyl-7,8,9,10,10a,11-hexahydro-13h-pyrido[1',2':3,4]imidazo[2,1-b]quinazolin-13-one
CAS Number:
33852-22-1
Molecular Formula:
C15H17N3O
Molecular Weight:
255.3150
IUPAC Name:
6-methyl-1,9,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),4,6,9-tetraen-2-one
InChI:
InChI=1S/C15H17N3O/c1-10-5-6-12-13(8-10)16-15-17-7-3-2-4-11(17)9-18(15)14(12)19/h5-6,8,11H,2-4,7,9H2,1H3
InChI Key:
SCSRMBSQNQHRTL-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc1n(c2=O)CC2N1CCCC2
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.321g/mol
Monoisotopic Mass:
255.137g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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