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Home > Aldehydes > 648449-26-7
648449-26-7 | 6-Quinazolinecarboxaldehyde, 4-[4-(2-pyrimidinyl)-1-piperazinyl]-
CAS No: 648449-26-7 Catalog No: AG006SSC MDL No:
Product Description
Catalog Number:
AG006SSC
Chemical Name:
6-Quinazolinecarboxaldehyde, 4-[4-(2-pyrimidinyl)-1-piperazinyl]-
CAS Number:
648449-26-7
Molecular Formula:
C17H16N6O
Molecular Weight:
320.3485
IUPAC Name:
4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline-6-carbaldehyde
InChI:
InChI=1S/C17H16N6O/c24-11-13-2-3-15-14(10-13)16(21-12-20-15)22-6-8-23(9-7-22)17-18-4-1-5-19-17/h1-5,10-12H,6-9H2
InChI Key:
XYFAOBQDODWYFS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)c(ncn2)N1CCN(CC1)c1ncccn1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.139g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.356g/mol
Monoisotopic Mass:
320.139g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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