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Molecule
Terazosin
CAS: 63590-64-7 · C19H25N5O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 63590-64-7
- Molecular Formula
- C19H25N5O4
- Molecular Mass
- 387.44 g/mol
Identifiers
CAS Registry Number
63590-64-7
SMILES
COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)[nH]c(=N)c2cc1OC
InChI Key
VCKUSRYTPJJLNI-UHFFFAOYSA-N
InChI
InChI=1S/C19H25N5O4/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/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
Names and Synonyms
- Terazosin Common Name
- Methanone, [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl](tetrahydro-2-furanyl)- Synonym
- Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-[(tetrahydro-2-furanyl)carbonyl]- Synonym
- [4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl](tetrahydro-2-furanyl)methanone Synonym
- Terazosin Synonym
- 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(tetrahydro-2-furoyl)piperazine Synonym
- 1-(4-Amino-6,7-dimethoxyquinazolin-2-yl)-4-[(2,3,4,5-tetrahydrofuran-2-yl)carbonyl]piperazine Synonym
- [4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 387.44 g/mol | CAS Common Chemistry |
| 387.4400000000001 g/mol | RDKit | |
| Canonical SMILES | O=C(N1CCN(C=2N=C(N)C=3C=C(OC)C(OC)=CC3N2)CC1)C4OCCC4 | CAS Common Chemistry |
| InChI | InChI=1S/C19H25N5O4/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/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22) | CAS Common Chemistry |
| InChI Key | InChIKey=VCKUSRYTPJJLNI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 273 °C | CAS Common Chemistry |
| Name | Terazosin | 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 | 2 | RDKit |
| Topological Polar Surface Area | 103.77 Ų | RDKit |
| LogP | 0.8871700000000003 | RDKit |
| 0.8872 | RDKit | |
| Molar Refractivity | 102.81940000000003 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5263 | RDKit |
| 0.53 | chempirical lib | |
| Exact Mass | 387.19065428000005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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 = 387.44 g/mol. Edit any field — others recompute live.
