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Molecule
Prazosin
CAS: 19216-56-9 · C19H21N5O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19216-56-9
- Molecular Formula
- C19H21N5O4
- Molecular Mass
- 383.41 g/mol
Identifiers
CAS Registry Number
19216-56-9
SMILES
COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)[nH]c(=N)c2cc1OC
InChI Key
IENZQIKPVFGBNW-UHFFFAOYSA-N
InChI
InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Names and Synonyms
- Prazosin Common Name
- Methanone, [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-2-furanyl- Synonym
- Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furoyl)- Synonym
- Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonyl)- Synonym
- [4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-2-furanylmethanone Synonym
- Prazosin Synonym
- Lentopres Synonym
- 4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazinyl 2-furyl ketone Synonym
- Furazosin Synonym
- 2-[4-(2-Furoyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine Synonym
- 2-[4-(Furan-2-carbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 383.41 g/mol | CAS Common Chemistry |
| 383.4080000000002 g/mol | RDKit | |
| 383.408 g/mol | RDKit | |
| 414.331 g/mol | chempirical lib | |
| Canonical SMILES | O=C(C=1OC=CC1)N2CCN(C=3N=C(N)C=4C=C(OC)C(OC)=CC4N3)CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | CAS Common Chemistry |
| InChI Key | InChIKey=IENZQIKPVFGBNW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 279 °C | CAS Common Chemistry |
| Name | Prazosin | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 107.67999999999999 Ų | RDKit |
| 107.68 Ų | RDKit | |
| LogP | 1.61497 | RDKit |
| 1.615 | RDKit | |
| Molar Refractivity | 101.87690000000003 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3158 | RDKit |
| Exact Mass | 383.15935415200005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 383.41 g/mol. Edit any field — others recompute live.
