About 4-[[2-amino-3-(2-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide;hydrobromide
4-[[2-amino-3-(2-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide;hydrobromide (PubChem CID 14180625) has the molecular formula C25H38BrN5O4
and a molecular weight of 552.51 g/mol. Its IUPAC name is 4-[[2-amino-3-(2-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide;hydrobromide.
Molecular Properties
| Compound Name | 4-[[2-amino-3-(2-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide;hydrobromide |
|---|
| PubChem CID | 14180625 |
|---|
| Molecular Formula | C25H38BrN5O4 |
|---|
| Molecular Weight | 552.51 g/mol |
|---|
| Exact Mass | 551.21 |
|---|
| IUPAC Name | 4-[[2-amino-3-(2-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide;hydrobromide |
|---|
| SMILES | Br.CN(C(=O)CCCOc1ccc2c(c1)CN(CC(=O)N1CCOCC1)C(N)=N2)C1CCCCC1 |
|---|
| InChI | InChI=1S/C25H37N5O4.BrH/c1-28(20-6-3-2-4-7-20)23(31)8-5-13-34-21-9-10-22-19(16-21)17-30(25(26)27-22)18-24(32)29-11-14-33-15-12-29;/h9-10,16,20H,2-8,11-15,17-18H2,1H3,(H2,26,27);1H |
|---|
| InChIKey | RQRRCTMXDOZJOI-UHFFFAOYSA-N |
|---|
| XLogP | 2.84 |
|---|
| TPSA | 100.70 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 552.51 |
| LogP ≤ 5 | 2.84 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Analyze 4-[[2-amino-3-(2-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide;hydrobromide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 4-[[2-amino-3-(2-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide;hydrobromide?
The IUPAC name of 4-[[2-amino-3-(2-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide;hydrobromide (CID 14180625) is 4-[[2-amino-3-(2-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide;hydrobromide.
What is the SMILES notation for 4-[[2-amino-3-(2-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide;hydrobromide?
The canonical SMILES for 4-[[2-amino-3-(2-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide;hydrobromide is Br.CN(C(=O)CCCOc1ccc2c(c1)CN(CC(=O)N1CCOCC1)C(N)=N2)C1CCCCC1.
What is the InChIKey of 4-[[2-amino-3-(2-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide;hydrobromide?
The InChIKey is RQRRCTMXDOZJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O4.BrH/c1-28(20-6-3-2-4-7-20)23(31)8-5-13-34-21-9-10-22-19(16-21)17-30(25(26)27-22)18-24(32)29-11-14-33-15-12-29;/h9-10,16,20H,2-8,11-15,17-18H2,1H3,(H2,26,27);1H.
What are the key properties of 4-[[2-amino-3-(2-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide;hydrobromide?
4-[[2-amino-3-(2-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide;hydrobromide has a molecular weight of 552.51 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-3-(2-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide;hydrobromide is sourced from PubChem (CID 14180625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).