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14005-56-2 | Quinazoline, 4-(2-methylphenyl)-2-(4-methyl-1-piperazinyl)-
CAS No: 14005-56-2 Catalog No: AG001BZO MDL No:
Product Description
Catalog Number:
AG001BZO
Chemical Name:
Quinazoline, 4-(2-methylphenyl)-2-(4-methyl-1-piperazinyl)-
CAS Number:
14005-56-2
Molecular Formula:
C20H22N4
Molecular Weight:
318.4155
IUPAC Name:
4-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline
InChI:
InChI=1S/C20H22N4/c1-15-7-3-4-8-16(15)19-17-9-5-6-10-18(17)21-20(22-19)24-13-11-23(2)12-14-24/h3-10H,11-14H2,1-2H3
InChI Key:
LFAOKDNDTVBKQD-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1nc2ccccc2c(n1)c1ccccc1C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.184g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.424g/mol
Monoisotopic Mass:
318.184g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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