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Dacomitinib Intermediate 2

CAT: 1410-M35910-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M35910-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Dacomitinib Intermediate 2 (N- (3-Chloro-4-fluorophenyl) -7-methoxy-6-nitroquinazolin-4-amine) has anticancer activity and can be used to study lung cancer.
CAS Number
179552-74-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
348.72
Molecular Formula
C15H10ClFN4O3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine
CAS Number179552-74-0
PubChem CID21847811
IUPAC NameN-(3-chloro-4-fluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine
Molecular FormulaC15H10ClFN4O3
Molecular Weight348.71
XLogP3.9
Topological Polar Surface Area92.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity455
SMILES
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H10ClFN4O3/c1-24-14-6-12-9(5-13(14)21(22)23)15(19-7-18-12)20-8-2-3-11(17)10(16)4-8/h2-7H,1H3,(H,18,19,20)
InChIKey
VKEKKVCWODTGAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine
CAS: 179552-74-0
CID: 21847811
Formula: C15H10ClFN4O3
MW: 348.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.71
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass348.0425460
Monoisotopic Mass348.0425460
Topological Polar Surface Area92.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity455
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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