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1012057-52-1 | 4,6-Quinazolinediamine, N4-(3-ethynylphenyl)-7-methoxy-
CAS No: 1012057-52-1 Catalog No: AG0003Y4 MDL No:MFCD16877567
Product Description
Catalog Number:
AG0003Y4
Chemical Name:
4,6-Quinazolinediamine, N4-(3-ethynylphenyl)-7-methoxy-
CAS Number:
1012057-52-1
Molecular Formula:
C17H14N4O
Molecular Weight:
290.3193
MDL Number:
MFCD16877567
IUPAC Name:
4-N-(3-ethynylphenyl)-7-methoxyquinazoline-4,6-diamine
InChI:
InChI=1S/C17H14N4O/c1-3-11-5-4-6-12(7-11)21-17-13-8-14(18)16(22-2)9-15(13)19-10-20-17/h1,4-10H,18H2,2H3,(H,19,20,21)
InChI Key:
GXTDIHSVUDHDCI-UHFFFAOYSA-N
SMILES:
COc1cc2ncnc(c2cc1N)Nc1cccc(c1)C#C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.117g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.326g/mol
Monoisotopic Mass:
290.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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