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183321-86-0 | Ethanol, 2-[[4-[(3-ethynylphenyl)amino]-7-(2-methoxyethoxy)-6-quinazolinyl]oxy]-
CAS No: 183321-86-0 Catalog No: AG0027HV MDL No:
Product Description
Catalog Number:
AG0027HV
Chemical Name:
Ethanol, 2-[[4-[(3-ethynylphenyl)amino]-7-(2-methoxyethoxy)-6-quinazolinyl]oxy]-
CAS Number:
183321-86-0
Molecular Formula:
C21H21N3O4
Molecular Weight:
379.4091
IUPAC Name:
2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethanol
InChI:
InChI=1S/C21H21N3O4/c1-3-15-5-4-6-16(11-15)24-21-17-12-19(27-8-7-25)20(28-10-9-26-2)13-18(17)22-14-23-21/h1,4-6,11-14,25H,7-10H2,2H3,(H,22,23,24)
InChI Key:
KOQIAZNBAWFSQM-UHFFFAOYSA-N
SMILES:
OCCOc1cc2c(ncnc2cc1OCCOC)Nc1cccc(c1)C#C
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.153g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
379.416g/mol
Monoisotopic Mass:
379.153g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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