2,4-Dichloro-5-methoxyquinazoline - CAS 61948-59-2
Catalog: |
BB031347 |
Product Name: |
2,4-Dichloro-5-methoxyquinazoline |
CAS: |
61948-59-2 |
Synonyms: |
2,4-dichloro-5-methoxyquinazoline; 2,4-dichloro-5-methoxyquinazoline |
IUPAC Name: | 2,4-dichloro-5-methoxyquinazoline |
Description: | 2,4-Dichloro-5-methoxyquinazoline (CAS# 61948-59-2) is a useful reactant for the synthesis of N2,N4-disubstituted quinazoline-2,4-diamines which have been studied as possible antibacterial agents. |
Molecular Weight: | 229.06 |
Molecular Formula: | C9H6Cl2N2O |
Canonical SMILES: | COC1=CC=CC2=C1C(=NC(=N2)Cl)Cl |
InChI: | InChI=1S/C9H6Cl2N2O/c1-14-6-4-2-3-5-7(6)8(10)13-9(11)12-5/h2-4H,1H3 |
InChI Key: | CVILQLUABMGXTG-UHFFFAOYSA-N |
MDL: | MFCD10697887 |
LogP: | 2.94520 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2964664-A1 | Hepatitis c virus inhibitors | 20130307 |
EP-2964664-B1 | Hepatitis c virus inhibitors | 20130307 |
JP-2016517399-A | Hepatitis C virus inhibitor | 20130307 |
JP-6342922-B2 | Hepatitis C virus inhibitor | 20130307 |
US-2015376233-A1 | Hepatitis c virus inhibitors | 20130307 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.9857182 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.9857182 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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