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183321-60-0 | 4-Quinazolinamine, N-(3-ethynylphenyl)-7-methoxy-6-nitro-
CAS No: 183321-60-0 Catalog No: AG0027I0 MDL No:
Product Description
Catalog Number:
AG0027I0
Chemical Name:
4-Quinazolinamine, N-(3-ethynylphenyl)-7-methoxy-6-nitro-
CAS Number:
183321-60-0
Molecular Formula:
C17H12N4O3
Molecular Weight:
320.3022
IUPAC Name:
N-(3-ethynylphenyl)-7-methoxy-6-nitroquinazolin-4-amine
InChI:
InChI=1S/C17H12N4O3/c1-3-11-5-4-6-12(7-11)20-17-13-8-15(21(22)23)16(24-2)9-14(13)18-10-19-17/h1,4-10H,2H3,(H,18,19,20)
InChI Key:
DFMCIAKKWVZERJ-UHFFFAOYSA-N
SMILES:
COc1cc2ncnc(c2cc1[N+](=O)[O-])Nc1cccc(c1)C#C
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.091g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.308g/mol
Monoisotopic Mass:
320.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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