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Home > Aldehydes > 231278-84-5
231278-84-5 | 2-Furancarboxaldehyde, 5-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-
CAS No: 231278-84-5 Catalog No: AG002M90 MDL No:MFCD10565688
Product Description
Catalog Number:
AG002M90
Chemical Name:
2-Furancarboxaldehyde, 5-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-
CAS Number:
231278-84-5
Molecular Formula:
C26H17ClFN3O3
Molecular Weight:
473.8829
MDL Number:
MFCD10565688
IUPAC Name:
5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-carbaldehyde
InChI:
InChI=1S/C26H17ClFN3O3/c27-22-12-19(5-8-25(22)33-14-16-2-1-3-18(28)10-16)31-26-21-11-17(4-7-23(21)29-15-30-26)24-9-6-20(13-32)34-24/h1-13,15H,14H2,(H,29,30,31)
InChI Key:
XQPZOUAAXRXPAM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)c1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F
Properties
Complexity:
675
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.094g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
473.888g/mol
Monoisotopic Mass:
473.094g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
Literature
| Title | Journal |
|---|---|
| Human metabolism of lapatinib, a dual kinase inhibitor: implications for hepatotoxicity. | Drug metabolism and disposition: the biological fate of chemicals 20120101 |
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