7-Chloro-4-(4-BOC-piperazino)quinoline - CAS 1235972-74-3
Catalog: |
BB070195 |
Product Name: |
7-Chloro-4-(4-BOC-piperazino)quinoline |
CAS: |
1235972-74-3 |
Synonyms: |
7-Chloro-4-(4-BOC-piperazino)quinoline; tert-butyl 4-(7-chloroquinolin-4-yl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(7-chloroquinolin-4-yl)piperazine-1-carboxylate |
Description: | 7-Chloro-4-(4-BOC-piperazino)quinoline |
Molecular Weight: | 347.84 |
Molecular Formula: | C18H22ClN3O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C=CC(=CC3=NC=C2)Cl |
InChI: | InChI=1S/C18H22ClN3O2/c1-18(2,3)24-17(23)22-10-8-21(9-11-22)16-6-7-20-15-12-13(19)4-5-14(15)16/h4-7,12H,8-11H2,1-3H3 |
InChI Key: | MJCHTXDEKYWEOM-UHFFFAOYSA-N |
Complexity: | 446 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 347.1400546 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 347.1400546 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 45.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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