2-amino-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;morpholine

C54H53ClN16O6 — CID 158817786

About 2-amino-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;morpholine

2-amino-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;morpholine (PubChem CID 158817786) has the molecular formula C54H53ClN16O6 and a molecular weight of 1057.58 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;morpholine.

Molecular Properties

• Compound Name: 2-amino-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;morpholine
• PubChem CID: 158817786
• Molecular Formula: C54H53ClN16O6
• Molecular Weight: 1057.58 g/mol
• Exact Mass: 1056.40
• IUPAC Name: 2-amino-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;morpholine
• SMILES: C1COCCN1.C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1.C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(N3CCOCC3)c2c(=O)n1-c1ccccc1
• InChI: InChI=1S/C27H26N8O3.C23H18ClN7O2.C4H9NO/c1-17(30-26(36)22-23(28)32-34-12-6-11-29-25(22)34)24-31-19-9-5-10-20(33-13-15-38-16-14-33)21(19)27(37)35(24)18-7-3-2-4-8-18;1-13(27-22(32)18-19(25)29-30-12-6-11-26-21(18)30)20-28-16-10-5-9-15(24)17(16)23(33)31(20)14-7-3-2-4-8-14;1-3-6-4-2-5-1/h2-12,17H,13-16H2,1H3,(H2,28,32)(H,30,36);2-13H,1H3,(H2,25,29)(H,27,32);5H,1-4H2/t17-;13-;/m00./s1
• InChIKey: IVMGXBXWNOTVNC-BACLKCEISA-N
• XLogP: 5.10
• TPSA: 274.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 9
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1057.58
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;morpholine?

The IUPAC name of 2-amino-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;morpholine (CID 158817786) is 2-amino-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;morpholine.

What is the SMILES notation for 2-amino-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;morpholine?

The canonical SMILES for 2-amino-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;morpholine is C1COCCN1.C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1.C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(N3CCOCC3)c2c(=O)n1-c1ccccc1.

What is the InChIKey of 2-amino-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;morpholine?

The InChIKey is IVMGXBXWNOTVNC-BACLKCEISA-N. The full InChI is InChI=1S/C27H26N8O3.C23H18ClN7O2.C4H9NO/c1-17(30-26(36)22-23(28)32-34-12-6-11-29-25(22)34)24-31-19-9-5-10-20(33-13-15-38-16-14-33)21(19)27(37)35(24)18-7-3-2-4-8-18;1-13(27-22(32)18-19(25)29-30-12-6-11-26-21(18)30)20-28-16-10-5-9-15(24)17(16)23(33)31(20)14-7-3-2-4-8-14;1-3-6-4-2-5-1/h2-12,17H,13-16H2,1H3,(H2,28,32)(H,30,36);2-13H,1H3,(H2,25,29)(H,27,32);5H,1-4H2/t17-;13-;/m00./s1.

What are the key properties of 2-amino-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;morpholine?

2-amino-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;morpholine has a molecular weight of 1057.58 g/mol, XLogP of 5.10, 9 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;morpholine is sourced from PubChem (CID 158817786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).