7-Fluoro-6-nitroquinazolin-4(3H)-one - CAS 162012-69-3
Catalog: |
BB011814 |
Product Name: |
7-Fluoro-6-nitroquinazolin-4(3H)-one |
CAS: |
162012-69-3 |
Synonyms: |
7-fluoro-6-nitro-3H-quinazolin-4-one; 7-fluoro-6-nitro-3H-quinazolin-4-one |
IUPAC Name: | 7-fluoro-6-nitro-3H-quinazolin-4-one |
Description: | 7-Fluoro-6-nitroquinazolin-4(3H)-one (CAS# 162012-69-3) is an intermediate in the preparation of kinase inhibitors, such as ATP Site inhibitors of the Tyrosine Kinase activity of the epidermal growth factor receptor. |
Molecular Weight: | 209.13 |
Molecular Formula: | C8H4FN3O3 |
Canonical SMILES: | C1=C2C(=CC(=C1[N+](=O)[O-])F)N=CNC2=O |
InChI: | InChI=1S/C8H4FN3O3/c9-5-2-6-4(1-7(5)12(14)15)8(13)11-3-10-6/h1-3H,(H,10,11,13) |
InChI Key: | VTUAEMSZEIGQRM-UHFFFAOYSA-N |
MDL: | MFCD07841697 |
LogP: | 1.49360 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113264888-A | Tyrosine kinase inhibitor and pharmaceutical application thereof | 20210304 |
CN-112375043-A | Method for preparing dacomitinib | 20201126 |
WO-2021195206-A1 | Polymorphic forms and related uses | 20200324 |
CN-113121434-A | Preparation method of high-purity quinazoline drug intermediate | 20191231 |
CN-110590682-A | Method for preparing afatinib impurity and prepared impurity | 20191014 |
PMID | Publication Date | Title | Journal |
21578805 | 20091114 | 7-Fluoro-6-nitro-quinazolin-4(3H)-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 328 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.02366916 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.02366916 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 87.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Quinazolines
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS