| CAS Number | 430462-93-4 |
| Catalog Number | AG00DB8P |
| Chemical Name | HQ-415 |
| IUPAC Name | 7-[(3-ethoxy-4-methoxyphenyl)-[(4-methylpyridin-2-yl)amino]methyl]quinolin-8-ol |
| InChI | InChI=1S/C25H25N3O3/c1-4-31-21-15-18(8-10-20(21)30-3)23(28-22-14-16(2)11-13-26-22)19-9-7-17-6-5-12-27-24(17)25(19)29/h5-15,23,29H,4H2,1-3H3,(H,26,28) |
| InChI Key | ZUOOFZJZQYFZQW-UHFFFAOYSA-N |
| MDL Number | MFCD02376369 |
| Molecular Formula | C25H25N3O3 |
| Molecular Weight | 415.4843 |
| SMILES | N1C2C(=CC=C(C(C3=CC=C(OC)C(OCC)=C3)NC3=NC=CC(C)=C3)C=2O)C=CC=1 |
| Synonyms | HQ-415,
430462-93-4,
7-{(3-ethoxy-4-methoxyphenyl)[(4-methylpyridin-2-yl)amino]methyl}quinolin-8-ol,
AC1MEQ7D,
SCHEMBL2153404,
CHEMBL1397952,
HMS1803A09,
CCG-63058,
STK509332,
AKOS000356066,
AKOS025244844,
CS-4930,
MCULE-4531161174,
NCGC00101025-01,
HY-18670,
AB00113376-01,
7-[(3-ethoxy-4-methoxyphenyl)-[(4-methylpyridin-2-yl)amino]methyl]quinolin-8-ol,
CID2907339,
7-[(3-ethoxy-4-methoxy-phenyl)-[(4-methylpyridin-2-yl)amino]methyl]quinolin-8-ol,
|
| Complexity | 550 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 415.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 415.493g/mol |
| Monoisotopic Mass | 415.19g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 76.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number