Ethyl 4-Chloroquinazoline-2-carboxylate - CAS 34632-69-4
Catalog: |
BB022209 |
Product Name: |
Ethyl 4-Chloroquinazoline-2-carboxylate |
CAS: |
34632-69-4 |
Synonyms: |
4-chloro-2-quinazolinecarboxylic acid ethyl ester; ethyl 4-chloroquinazoline-2-carboxylate |
IUPAC Name: | ethyl 4-chloroquinazoline-2-carboxylate |
Description: | Ethyl 4-Chloroquinazoline-2-carboxylate (CAS# 34632-69-4) is a reactant used in the synthesis and evaluation of novel quinazoline-based anti-inflammatory agents acting as PDE4B inhibitors. |
Molecular Weight: | 236.65 |
Molecular Formula: | C11H9ClN2O2 |
Canonical SMILES: | CCOC(=O)C1=NC2=CC=CC=C2C(=N1)Cl |
InChI: | InChI=1S/C11H9ClN2O2/c1-2-16-11(15)10-13-8-6-4-3-5-7(8)9(12)14-10/h3-6H,2H2,1H3 |
InChI Key: | ZMAJSODACDWUAS-UHFFFAOYSA-N |
Boiling Point: | 391.3 °C at 760 mmHg |
Density: | 1.341 g/cm3 |
Appearance: | Yellow powder |
MDL: | MFCD04107645 |
LogP: | 2.45990 |
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 |
WO-2016128912-A1 | Therapeutic combinations of a btk inhibitor, a pi3k inhibitor, a jak-2 inhibitor, a pd-1 inhibitor, and/or a pd-l1 inhibitor | 20150212 |
AU-2015359624-A1 | Piperidine substituted pyrazolo[1,5-a]pyrimidine derivatives with inhibitory activity on the replication of the respiratory syncytial virus (RSV) | 20141208 |
AU-2015359624-B2 | Piperidine substituted pyrazolo[1,5-a]pyrimidine derivatives with inhibitory activity on the replication of the respiratory syncytial virus (RSV) | 20141208 |
CA-2963051-A1 | Piperidine substituted pyrazolo[1,5-a]pyrimidine derivatives with inhibitory activity on the replication of the respiratory syncytial virus (rsv) | 20141208 |
EA-032081-B1 | PIPERIDINE SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) | 20141208 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.0352552 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.0352552 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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