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918645-80-4 | [1(2H),3'-Biquinolin]-2-one, 3-butyl-3,4-dihydro-3-methyl-
CAS No: 918645-80-4 Catalog No: AG006OP9 MDL No:
Product Description
Catalog Number:
AG006OP9
Chemical Name:
[1(2H),3'-Biquinolin]-2-one, 3-butyl-3,4-dihydro-3-methyl-
CAS Number:
918645-80-4
Molecular Formula:
C23H24N2O
Molecular Weight:
344.4495
IUPAC Name:
3-butyl-3-methyl-1-quinolin-3-yl-4H-quinolin-2-one
InChI:
InChI=1S/C23H24N2O/c1-3-4-13-23(2)15-18-10-6-8-12-21(18)25(22(23)26)19-14-17-9-5-7-11-20(17)24-16-19/h5-12,14,16H,3-4,13,15H2,1-2H3
InChI Key:
WEHFIGBBXOZINX-UHFFFAOYSA-N
SMILES:
CCCCC1(C)Cc2ccccc2N(C1=O)c1cnc2c(c1)cccc2
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.189g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.458g/mol
Monoisotopic Mass:
344.189g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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