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263170-58-7 | 3-Quinolinecarbonitrile, 4-(1H-indazol-6-ylaMino)-6-Methoxy-7-[3-(4-Morpholinyl)propoxy]-
CAS No: 263170-58-7 Catalog No: AG002SP2 MDL No:MFCD23134638
Product Description
Catalog Number:
AG002SP2
Chemical Name:
3-Quinolinecarbonitrile, 4-(1H-indazol-6-ylaMino)-6-Methoxy-7-[3-(4-Morpholinyl)propoxy]-
CAS Number:
263170-58-7
Molecular Formula:
C25H26N6O3
Molecular Weight:
458.5123
MDL Number:
MFCD23134638
IUPAC Name:
4-(1H-indazol-6-ylamino)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
InChI:
InChI=1S/C25H26N6O3/c1-32-23-12-20-22(13-24(23)34-8-2-5-31-6-9-33-10-7-31)27-15-18(14-26)25(20)29-19-4-3-17-16-28-30-21(17)11-19/h3-4,11-13,15-16H,2,5-10H2,1H3,(H,27,29)(H,28,30)
InChI Key:
RITJETIJBGFZSI-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OCCCN1CCOCC1)ncc(c2Nc1ccc2c(c1)[nH]nc2)C#N
Properties
Complexity:
697
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.207g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
458.522g/mol
Monoisotopic Mass:
458.207g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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