4-Chloro-6,7-bis(2-methoxyethoxy)quinazoline - CAS 183322-18-1
Catalog: |
BB014049 |
Product Name: |
4-Chloro-6,7-bis(2-methoxyethoxy)quinazoline |
CAS: |
183322-18-1 |
Synonyms: |
4-chloro-6,7-bis(2-methoxyethoxy)quinazoline; 4-chloro-6,7-bis(2-methoxyethoxy)quinazoline |
IUPAC Name: | 4-chloro-6,7-bis(2-methoxyethoxy)quinazoline |
Description: | A metabolite of Erlotinib. Erlotinib is a tyrosine kinase inhibitor which acts on the epidermal growth factor receptor (EGFR), inhibiting EGFR-associated kinase activity. |
Molecular Weight: | 312.75 |
Molecular Formula: | C14H17ClN2O4 |
Canonical SMILES: | COCCOC1=C(C=C2C(=C1)C(=NC=N2)Cl)OCCOC |
InChI: | InChI=1S/C14H17ClN2O4/c1-18-3-5-20-12-7-10-11(16-9-17-14(10)15)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3 |
InChI Key: | ZPJLDMNVDPGZIU-UHFFFAOYSA-N |
Boiling Point: | 446.7 °C at 760 mmHg |
Purity: | > 95 % |
Density: | 1.257 g/cm3 |
Appearance: | White solid |
MDL: | MFCD09751265 |
LogP: | 2.33360 |
GHS Hazard Statement: | H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
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Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 312.0876847 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 312.0876847 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 62.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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