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918645-79-1 | [1(2H),3'-Biquinolin]-2-one, 3,4-dihydro-3-methyl-3-propyl-
CAS No: 918645-79-1 Catalog No: AG006CJF MDL No:
Product Description
Catalog Number:
AG006CJF
Chemical Name:
[1(2H),3'-Biquinolin]-2-one, 3,4-dihydro-3-methyl-3-propyl-
CAS Number:
918645-79-1
Molecular Formula:
C22H22N2O
Molecular Weight:
330.4229
IUPAC Name:
3-methyl-3-propyl-1-quinolin-3-yl-4H-quinolin-2-one
InChI:
InChI=1S/C22H22N2O/c1-3-12-22(2)14-17-9-5-7-11-20(17)24(21(22)25)18-13-16-8-4-6-10-19(16)23-15-18/h4-11,13,15H,3,12,14H2,1-2H3
InChI Key:
UNTHFCONDMXLNT-UHFFFAOYSA-N
SMILES:
CCCC1(C)Cc2ccccc2N(C1=O)c1cnc2c(c1)cccc2
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.173g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.431g/mol
Monoisotopic Mass:
330.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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