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98187-56-5 | 1H-Phenalene-1,3(2H)-dione, 6-(1-piperidinyl)-2-(2-quinolinyl)-
CAS No: 98187-56-5 Catalog No: AG005W5Z MDL No:
Product Description
Catalog Number:
AG005W5Z
Chemical Name:
1H-Phenalene-1,3(2H)-dione, 6-(1-piperidinyl)-2-(2-quinolinyl)-
CAS Number:
98187-56-5
Molecular Formula:
C27H22N2O2
Molecular Weight:
406.4758
IUPAC Name:
6-piperidin-1-yl-2-quinolin-2-ylphenalene-1,3-dione
InChI:
InChI=1S/C27H22N2O2/c30-26-19-9-6-8-18-23(29-15-4-1-5-16-29)14-12-20(24(18)19)27(31)25(26)22-13-11-17-7-2-3-10-21(17)28-22/h2-3,6-14,25H,1,4-5,15-16H2
InChI Key:
LNOGGXZTOIOQMA-UHFFFAOYSA-N
SMILES:
O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c3c1cccc3c(cc2)N1CCCCC1
Properties
Complexity:
701
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.168g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.485g/mol
Monoisotopic Mass:
406.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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