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1369509-89-6 | 3-Quinolinecarbonitrile, 1,4-dihydro-6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-oxo-
CAS No: 1369509-89-6 Catalog No: AG0012LI MDL No:
Product Description
Catalog Number:
AG0012LI
Chemical Name:
3-Quinolinecarbonitrile, 1,4-dihydro-6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-oxo-
CAS Number:
1369509-89-6
Molecular Formula:
C18H21N3O4
Molecular Weight:
343.3770
IUPAC Name:
6-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxo-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C18H21N3O4/c1-23-16-9-14-15(20-12-13(11-19)18(14)22)10-17(16)25-6-2-3-21-4-7-24-8-5-21/h9-10,12H,2-8H2,1H3,(H,20,22)
InChI Key:
HCTLMWSMOQYSON-UHFFFAOYSA-N
SMILES:
COc1cc2c(=O)c(C#N)c[nH]c2cc1OCCCN1CCOCC1
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.153g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.383g/mol
Monoisotopic Mass:
343.153g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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