7-Methoxy-4-(piperazin-1-yl)quinoline - CAS 4038-97-5
Catalog: |
BB024480 |
Product Name: |
7-Methoxy-4-(piperazin-1-yl)quinoline |
CAS: |
4038-97-5 |
Synonyms: |
7-methoxy-4-piperazin-1-ylquinoline |
IUPAC Name: | 7-methoxy-4-piperazin-1-ylquinoline |
Description: | 7-Methoxy-4-(piperazin-1-yl)quinoline (CAS# 4038-97-5) is a useful research chemical. |
Molecular Weight: | 243.30 |
Molecular Formula: | C14H17N3O |
Canonical SMILES: | COC1=CC2=NC=CC(=C2C=C1)N3CCNCC3 |
InChI: | InChI=1S/C14H17N3O/c1-18-11-2-3-12-13(10-11)16-5-4-14(12)17-8-6-15-7-9-17/h2-5,10,15H,6-9H2,1H3 |
InChI Key: | UROPJUHDMCQLHY-UHFFFAOYSA-N |
Boiling Point: | 438 °C at 760 mmHg |
Density: | 1.163 g/cm3 |
LogP: | 2.04680 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20210057680-A | Novel quinoline compounds and uses thereof | 20191111 |
WO-2021096335-A1 | Novel quinoline compound and use thereof | 20191111 |
EP-1546116-A1 | Vanilloid receptor ligands and their use in treatments | 20020808 |
EP-1688408-A2 | Vanilloid receptor ligands and their use in treatments | 20020808 |
EP-1717220-A2 | Vanilloid receptor ligands and their use in treatments | 20020808 |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.137162174 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.137162174 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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