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832734-76-6 | Quinoline, 3-[2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-pyrimidinyl]-
CAS No: 832734-76-6 Catalog No: AG0056H5 MDL No:
Product Description
Catalog Number:
AG0056H5
Chemical Name:
Quinoline, 3-[2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-pyrimidinyl]-
CAS Number:
832734-76-6
Molecular Formula:
C23H26N4O
Molecular Weight:
374.4787
IUPAC Name:
3-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]quinoline
InChI:
InChI=1S/C23H26N4O/c1-4-8-22-17(5-1)13-18(14-24-22)19-15-25-23(26-16-19)28-21-9-11-27(12-10-21)20-6-2-3-7-20/h1,4-5,8,13-16,20-21H,2-3,6-7,9-12H2
InChI Key:
NSLIFSATIAHANI-UHFFFAOYSA-N
SMILES:
C1CCC(C1)N1CCC(CC1)Oc1ncc(cn1)c1cnc2c(c1)cccc2
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.211g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.488g/mol
Monoisotopic Mass:
374.211g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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