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Molecule
3-[4-(4-Morpholinyl)Pyrido[3′,2′:4,5]Furo[3,2-D]Pyrimidin-2-Yl]Phenol
CAS: 371935-74-9 · C19H16N4O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 371935-74-9
- Molecular Formula
- C19H16N4O3
- Molecular Mass
- 348.36 g/mol
Identifiers
CAS Registry Number
371935-74-9
SMILES
Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1
InChI Key
TUVCWJQQGGETHL-UHFFFAOYSA-N
InChI
InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
Names and Synonyms
- 3-[4-(4-Morpholinyl)Pyrido[3′,2′:4,5]Furo[3,2-D]Pyrimidin-2-Yl]Phenol Systematic Name
- Phenol, 3-[4-(4-morpholinyl)pyrido[3′,2′:4,5]furo[3,2-d]pyrimidin-2-yl]- Synonym
- 3-[4-(4-Morpholinyl)pyrido[3′,2′:4,5]furo[3,2-d]pyrimidin-2-yl]phenol Synonym
- PI 103 Synonym
- PIK 103 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 348.36 g/mol | CAS Common Chemistry |
| 348.36199999999997 g/mol | RDKit | |
| 348.362 g/mol | RDKit | |
| 349.37 g/mol | chempirical lib | |
| Canonical SMILES | OC1=CC=CC(=C1)C2=NC3=C(OC4=NC=CC=C43)C(=N2)N5CCOCC5 | CAS Common Chemistry |
| InChI | InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=TUVCWJQQGGETHL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-[4-(4-Morpholinyl)pyrido[3′,2′:4,5]furo[3,2-d]pyrimidin-2-yl]phenol | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 84.51 Ų | RDKit |
| 78.45 Ų | chempirical lib | |
| LogP | 2.980200000000001 | RDKit |
| 2.9802 | RDKit | |
| Molar Refractivity | 97.23780000000002 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2105 | RDKit |
| 0.21 | chempirical lib | |
| Exact Mass | 348.122240372 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 348.36 g/mol. Edit any field — others recompute live.
