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120128-20-3 | Quinoline, 2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]-
CAS No: 120128-20-3 Catalog No: AG000QCS MDL No:
Product Description
Catalog Number:
AG000QCS
Chemical Name:
Quinoline, 2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]-
CAS Number:
120128-20-3
Molecular Formula:
C25H21N5O2
Molecular Weight:
423.4665
IUPAC Name:
2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
InChI:
InChI=1S/C25H21N5O2/c1-2-7-20(19(6-1)15-25-27-29-30-28-25)16-31-22-11-13-23(14-12-22)32-17-21-10-9-18-5-3-4-8-24(18)26-21/h1-14H,15-17H2,(H,27,28,29,30)
InChI Key:
JELDFLOBXROBFH-UHFFFAOYSA-N
SMILES:
n1[nH]nc(n1)Cc1ccccc1COc1ccc(cc1)OCc1ccc2c(n1)cccc2
UNII:
1L8MX40L35
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.17g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.476g/mol
Monoisotopic Mass:
423.17g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Characterization of 2-[[4-[[2-(1H-tetrazol-5-ylmethyl)phenyl]methoxy]methyl]quinoline N-glucuronidation by in vitro and in vivo approaches. | Drug metabolism and disposition: the biological fate of chemicals 20010301 |
| Lack of correlation between in vitro inhibition of CYP3A-mediated metabolism by a PPAR-gamma agonist and its effect on the clinical pharmacokinetics of midazolam, an in vivo probe of CYP3A activity. | Journal of clinical pharmacology 20010301 |
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