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832734-84-6 | Quinoline, 8-[2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-pyrimidinyl]-
CAS No: 832734-84-6 Catalog No: AG008IDG MDL No:
Product Description
Catalog Number:
AG008IDG
Chemical Name:
Quinoline, 8-[2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-pyrimidinyl]-
CAS Number:
832734-84-6
Molecular Formula:
C23H26N4O
Molecular Weight:
374.4787
IUPAC Name:
8-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]quinoline
InChI:
InChI=1S/C23H26N4O/c1-2-8-19(7-1)27-13-10-20(11-14-27)28-23-25-15-18(16-26-23)21-9-3-5-17-6-4-12-24-22(17)21/h3-6,9,12,15-16,19-20H,1-2,7-8,10-11,13-14H2
InChI Key:
FLYNGGUHCBYCGZ-UHFFFAOYSA-N
SMILES:
C1CCC(C1)N1CCC(CC1)Oc1ncc(cn1)c1cccc2c1nccc2
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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