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2-Amino-N-[2,3-Dihydro-7-Methoxy-8-[3-(4-Morpholinyl)Propoxy]Imidazo[1,2-C]Quinazolin-5-Yl]-5-Pyrimidinecarboxamide
CAS: 1032568-63-0 | C23H28N8O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1032568-63-0
Molecular Formula:
C23H28N8O4
Molecular Mass:
480.53 g/mol
Names and Synonyms:
2-Amino-N-[2,3-Dihydro-7-Methoxy-8-[3-(4-Morpholinyl)Propoxy]Imidazo[1,2-C]Quinazolin-5-Yl]-5-Pyrimidinecarboxamide
5-Pyrimidinecarboxamide, 2-amino-N-[2,3-dihydro-7-methoxy-8-[3-(4-morpholinyl)propoxy]imidazo[1,2-c]quinazolin-5-yl]-
2-Amino-N-[2,3-dihydro-7-methoxy-8-[3-(4-morpholinyl)propoxy]imidazo[1,2-c]quinazolin-5-yl]-5-pyrimidinecarboxamide
BAY 80-6946
Copanlisib
Aliqopa
2-Amino-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide
BAY 806946
Identifiers:
SMILES:
COc1c(OCCCN2CCOCC2)ccc2c1N=C(N=C(O)c1cnc(=N)[nH]c1)N1CCN=C21
InChI:
InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 480.53 g/mol | CAS Common Chemistry |
| 480.52900000000017 g/mol | RDKit | |
| 480.2233513760001 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=NC=2C(OC)=C(OCCCN3CCOCC3)C=CC2C4=NCCN14)C5=CN=C(N=C5)N | CAS Common Chemistry |
| InChI | InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32) | CAS Common Chemistry |
| InChI Key | InChIKey=PZBCKZWLPGJMAO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Amino-N-[2,3-dihydro-7-methoxy-8-[3-(4-morpholinyl)propoxy]imidazo[1,2-c]quinazolin-5-yl]-5-pyrimidinecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 35 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 144.01 Ų | RDKit |
| LogP | 1.0669700000000004 | RDKit |
| Molar Refractivity | 129.17820000000003 | RDKit |
