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70289-23-5 | 2,5-Pyrrolidinedione,1-[(4-quinolinylamino)methyl]-
CAS No: 70289-23-5 Catalog No: AG005KDC MDL No:
Product Description
Catalog Number:
AG005KDC
Chemical Name:
2,5-Pyrrolidinedione,1-[(4-quinolinylamino)methyl]-
CAS Number:
70289-23-5
Molecular Formula:
C14H13N3O2
Molecular Weight:
255.2719
IUPAC Name:
1-[(quinolin-3-ylamino)methyl]pyrrolidine-2,5-dione
InChI:
InChI=1S/C14H13N3O2/c18-13-5-6-14(19)17(13)9-16-11-7-10-3-1-2-4-12(10)15-8-11/h1-4,7-8,16H,5-6,9H2
InChI Key:
SMYYOCDRLJCXFR-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1CNc1cnc2c(c1)cccc2
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.277g/mol
Monoisotopic Mass:
255.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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