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122009-54-5 | Quinazoline, 4-(pentyloxy)-2-[4-(2-propen-1-yl)-1-piperazinyl]-
CAS No: 122009-54-5 Catalog No: AG0016LX MDL No:
Product Description
Catalog Number:
AG0016LX
Chemical Name:
Quinazoline, 4-(pentyloxy)-2-[4-(2-propen-1-yl)-1-piperazinyl]-
CAS Number:
122009-54-5
Molecular Formula:
C20H28N4O
Molecular Weight:
340.4625
IUPAC Name:
4-pentoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline
InChI:
InChI=1S/C20H28N4O/c1-3-5-8-16-25-19-17-9-6-7-10-18(17)21-20(22-19)24-14-12-23(11-4-2)13-15-24/h4,6-7,9-10H,2-3,5,8,11-16H2,1H3
InChI Key:
SILQTPIQCRBVFV-UHFFFAOYSA-N
SMILES:
CCCCCOc1nc(nc2c1cccc2)N1CCN(CC1)CC=C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.226g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.471g/mol
Monoisotopic Mass:
340.226g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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