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918646-27-2 | [1(2H),3'-Biquinolin]-2-one, 3,4-dihydro-4,4,5-trimethyl-
CAS No: 918646-27-2 Catalog No: AG006CJ5 MDL No:
Product Description
Catalog Number:
AG006CJ5
Chemical Name:
[1(2H),3'-Biquinolin]-2-one, 3,4-dihydro-4,4,5-trimethyl-
CAS Number:
918646-27-2
Molecular Formula:
C21H20N2O
Molecular Weight:
316.3963
IUPAC Name:
4,4,5-trimethyl-1-quinolin-3-yl-3H-quinolin-2-one
InChI:
InChI=1S/C21H20N2O/c1-14-7-6-10-18-20(14)21(2,3)12-19(24)23(18)16-11-15-8-4-5-9-17(15)22-13-16/h4-11,13H,12H2,1-3H3
InChI Key:
PYIDCFULQDVMNS-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)c2c(N1c1cnc3c(c1)cccc3)cccc2C
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.404g/mol
Monoisotopic Mass:
316.158g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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