Methylisatoid
PubChem CID: 384867
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| Compound Synonyms | methylisatoid, 62584-11-6, Indolo(2,1-b)quinazoline-12-carboxylic acid, 6,12-dihydro-12-hydroxy-6-oxo-, methyl ester, NSC675463, NSC 675463, methyl 12-hydroxy-6-oxoindolo[2,1-b]quinazoline-12-carboxylate, Methyl 6,12-dihydro-12-hydroxy-6-oxoindolo(2, 1-b)quinazoline-12-carboxylate, methyl 12-hydroxy-6-oxoindolo(2,1-b)quinazoline-12-carboxylate, Methyl (6R)-6-hydroxy-12-oxo-6H,12H-indolo(2,1-b)quinazoline-6-carboxylic acid, Methyl (6R)-6-hydroxy-12-oxo-6H,12H-indolo[2,1-b]quinazoline-6-carboxylic acid, Methyl 6,12-dihydro-12-hydroxy-6-oxoindolo[2, 1-b]quinazoline-12-carboxylate, CHEMBL511527, NSC-675463, Methyl 6,1-b]quinazoline-12-carboxylate, NCI60_026673, methyl 12-hydroxy-6-oxo-indolo[2,1-b]quinazoline-12-carboxylate, Indolo[2,1-b]quinazoline-12-carboxylic acid, 6,12-dihydro-12-hydroxy- 6-oxo-, methyl ester |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 575.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 12-hydroxy-6-oxoindolo[2,1-b]quinazoline-12-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C17H12N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KBIGHBLKYNEVDZ-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.229 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.429 |
| Compound Name | Methylisatoid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.08 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.08 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 308.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9253035565217393 |
| Inchi | InChI=1S/C17H12N2O4/c1-23-16(21)17(22)11-7-3-4-8-12(11)18-15-14(20)10-6-2-5-9-13(10)19(15)17/h2-9,22H,1H3 |
| Smiles | COC(=O)C1(C2=CC=CC=C2N=C3N1C4=CC=CC=C4C3=O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phaius Mishmensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all