| CAS Number | 478081-14-0 |
| Catalog Number | AG00IR1Z(AGN-PC-0WAWSU) |
| Chemical Name | Ethyl 3-(2-amino-2-oxoethoxy)pyrido[1,2-a]indole-10-carboxylate |
| IUPAC Name | ethyl 3-(2-amino-2-oxoethoxy)pyrido[1,2-a]indole-10-carboxylate |
| InChI | InChI=1S/C17H16N2O4/c1-2-22-17(21)16-12-7-6-11(23-10-15(18)20)9-14(12)19-8-4-3-5-13(16)19/h3-9H,2,10H2,1H3,(H2,18,20) |
| InChI Key | QLIJTCVWVGLNHG-UHFFFAOYSA-N |
| MDL Number | MFCD01815156 |
| Molecular Formula | C17H16N2O4 |
| Molecular Weight | 312.3199 |
| SMILES | CCOC(=O)C1=C2C=CC=CN2C3=C1C=CC(=C3)OCC(=O)N |
| Synonyms | ethyl 3-(2-amino-2-oxoethoxy)pyrido[1,2-a]indole-10-carboxylate,
478081-14-0,
ethyl 3-(carbamoylmethoxy)pyrido[1,2-a]indole-10-carboxylate,
AC1LSHC3,
Oprea1_450685,
KS-000020LN,
ZINC1402603,
AKOS005101654,
MCULE-6023529486,
8N-808,
ZINC01402603,
CID1488019,
|
| Complexity | 456 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.325g/mol |
| Monoisotopic Mass | 312.111g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 83A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number