6,7-Bis(2-methoxyethoxy)quinazolin-4(3H)-one - CAS 179688-29-0
Catalog: |
BB013595 |
Product Name: |
6,7-Bis(2-methoxyethoxy)quinazolin-4(3H)-one |
CAS: |
179688-29-0 |
Synonyms: |
4(3H)-Quinazolinone, 6,7-bis(2-methoxyethoxy)-; 4(1H)-Quinazolinone, 6,7-bis(2-methoxyethoxy)-; 6,7-Bis(2-methoxyethoxy)-4(3H)-quinazolinone; 6,7-Bis(2-methoxyethoxy)-3,4-dihydroquinazolin-4-one; 6,7-Bis(2-methoxyethoxy)-quinazoline-4(3H)-one; 6,7-Di(2-methoxyethoxy)-3,4-dihydroquinazolin-4-one; CP380736; CP 380736; CP-380736; PF-00520893; PF00520893; PF 00520893 |
IUPAC Name: | 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one |
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: | 294.30 |
Molecular Formula: | C14H18N2O5 |
Canonical SMILES: | COCCOC1=C(C=C2C(=C1)C(=O)NC=N2)OCCOC |
InChI: | InChI=1S/C14H18N2O5/c1-18-3-5-20-12-7-10-11(15-9-16-14(10)17)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3,(H,15,16,17) |
InChI Key: | PMQWTUWLIGJTQD-UHFFFAOYSA-N |
Boiling Point: | 467.8±55.0°C at 760 mmHg |
Melting Point: | 182°C |
Purity: | ≥95% |
Density: | 1.26±0.1 g/cm3 |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly, Heated) |
Appearance: | White solid |
Storage: | Store at -20°C |
MDL: | MFCD02678087 |
LogP: | 0.97350 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111333630-A | Erlotinib derivative with killing performance on wild lung cancer tumor cells and preparation method thereof | 20200421 |
CN-111875588-A | Erlotinib derivative with killing performance on wild lung cancer tumor cells and preparation method thereof | 20200421 |
CN-113149965-A | Erlotinib derivative and application thereof in preparation of IDO1 activity inhibition drugs and antitumor drugs | 20200421 |
CN-113493443-A | Erlotinib derivative with killing performance on wild lung cancer tumor cells and preparation method thereof | 20200421 |
CN-110894189-A | Preparation method of erlotinib hydrochloride | 20191114 |
Complexity: | 363 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 294.12157168 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 294.12157168 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 78.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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