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76379-40-3

76379-40-3 | Quinoline, 1-butyl-1,4-dihydro-4-[3-(4-quinolinyl)-2-propenylidene]-

CAS No: 76379-40-3 Catalog No: AG005Y53 MDL No:

Product Description

Catalog Number:
AG005Y53
Chemical Name:
Quinoline, 1-butyl-1,4-dihydro-4-[3-(4-quinolinyl)-2-propenylidene]-
CAS Number:
76379-40-3
Molecular Formula:
C25H24N2
Molecular Weight:
352.4715
IUPAC Name:
1-butyl-4-(3-quinolin-4-ylprop-2-enylidene)quinoline
InChI:
InChI=1S/C25H24N2/c1-2-3-18-27-19-16-21(23-12-5-7-14-25(23)27)10-8-9-20-15-17-26-24-13-6-4-11-22(20)24/h4-17,19H,2-3,18H2,1H3
InChI Key:
BWOYMJBSTAILMN-UHFFFAOYSA-N
SMILES:
CCCCn1ccc(=CC=Cc2ccnc3c2cccc3)c2c1cccc2

Properties

Complexity:
561  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.194g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.481g/mol
Monoisotopic Mass:
352.194g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
16.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  
XLogP3:
6.2  

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