IUPAC name
2-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
SMILES
COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1COC2=CC=CC=C2O1
Compound class
Antihypertensive Agents; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Cardiovascular System; Antiadrenergic Agents, Peripherally Acting; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong);
Therapeutic area
For treatment and management of mild to moderate hypertension and urinary obstruction symptoms caused by BPH.
Common name
Doxazosin
IUPAC name
2-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
SMILES
COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1COC2=CC=CC=C2O1
INCHI
InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)
FORMULA
C23H25N5O5
Common name
Doxazosin
IUPAC name
2-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
Molecular weight
451.475
clogP
1.357
clogS
-4.240
HBond Acceptor
8
HBond Donor
2
Total Polar Surface Area
112.27
Number of Rings
5
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00711 | quinazolin-4-amine |
|
n1c2c(cccc2)c(nc1)N | 0.0031 |
| FDBF01000 | piperazine-1-carbaldehyde |
|
O=CN1CCNCC1 | 0.0014 |
| FDBF01328 | [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-1-yl-methanone |
|
O1C(COc2c1cccc2)C(=O)N3CCNCC3 | 0.0003 |
| FDBF01329 | 2,3-dihydro-1,4-benzodioxine |
|
O1CCOc2c1cccc2 | 0.0007 |
