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85137-46-8 | 5-(1,2,3,4-TETRAHYDRO-2-OXO-6-QUINOLINYL)-3,4-DIAZABICYCLO(4.2.0)OCT-4 -EN-2-ONE
CAS No: 85137-46-8 Catalog No: AG008GDN MDL No:
Product Description
Catalog Number:
AG008GDN
Chemical Name:
5-(1,2,3,4-TETRAHYDRO-2-OXO-6-QUINOLINYL)-3,4-DIAZABICYCLO(4.2.0)OCT-4 -EN-2-ONE
CAS Number:
85137-46-8
Molecular Formula:
C15H15N3O2
Molecular Weight:
269.2985
IUPAC Name:
6-[(1S,6R)-5-oxo-3,4-diazabicyclo[4.2.0]oct-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one
InChI:
InChI=1S/C15H15N3O2/c19-13-6-2-8-7-9(1-5-12(8)16-13)14-10-3-4-11(10)15(20)18-17-14/h1,5,7,10-11H,2-4,6H2,(H,16,19)(H,18,20)/t10-,11+/m0/s1
InChI Key:
KUKPXVLVFQGMCN-WDEREUQCSA-N
SMILES:
O=C1CCc2c(N1)ccc(c2)C1=NNC(=O)C2C1CC2
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
269.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.304g/mol
Monoisotopic Mass:
269.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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