Ethyl 4-Chloro-6,8-dimethylquinoline-3-carboxylate - CAS 31602-09-2
Catalog: |
BB020991 |
Product Name: |
Ethyl 4-Chloro-6,8-dimethylquinoline-3-carboxylate |
CAS: |
31602-09-2 |
Synonyms: |
4-chloro-6,8-dimethyl-3-quinolinecarboxylic acid ethyl ester; ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate |
IUPAC Name: | ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate |
Description: | Ethyl 4-Chloro-6,8-dimethylquinoline-3-carboxylate (CAS# 31602-09-2) is a useful research chemical. |
Molecular Weight: | 263.72 |
Molecular Formula: | C14H14ClNO2 |
Canonical SMILES: | CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)C)Cl |
InChI: | InChI=1S/C14H14ClNO2/c1-4-18-14(17)11-7-16-13-9(3)5-8(2)6-10(13)12(11)15/h5-7H,4H2,1-3H3 |
InChI Key: | QOCJKSWVYYUBSD-UHFFFAOYSA-N |
Boiling Point: | 363.3 °C at 760 mmHg |
Density: | 1.222 g/cm3 |
MDL: | MFCD00173394 |
LogP: | 3.68170 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CS-216527-B2 | Method of making the 4-amino-3-chinolincarboxyl avids and the esters thereof | 19800304 |
CA-1161757-A | 4-amino-3-quinolinecarboxylic acids and esters- antisecretory, anti-ulcer compounds | 19790326 |
CH-644105-A5 | 4-amino-3-quinoleinecarboxylic acids and esters, especially useful as antisecretory and anti-ulcer agent. | 19790326 |
FI-77452-B | Foerfarande foer framstaellning av farmaceutiskt anvaendbara 4-amino-3-kinolinkarboxylsyraestrar. | 19790326 |
FI-77452-C | Process for the Preparation of Pharmaceutically Useful 4-Amino-3-Quin Olin Carboxylic Acid Esters. | 19790326 |
Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.0713064 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.0713064 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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