3-[4-[1-[2-[4-[4-[[7-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]quinazolin-2-yl]amino]phenyl]-4H-pyridin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione

C46H48N8O3 — CID 177197568

About 3-[4-[1-[2-[4-[4-[[7-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]quinazolin-2-yl]amino]phenyl]-4H-pyridin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione

3-[4-[1-[2-[4-[4-[[7-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]quinazolin-2-yl]amino]phenyl]-4H-pyridin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione (PubChem CID 177197568) has the molecular formula C46H48N8O3 and a molecular weight of 760.94 g/mol. Its IUPAC name is 3-[4-[1-[2-[4-[4-[[7-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]quinazolin-2-yl]amino]phenyl]-4H-pyridin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[4-[1-[2-[4-[4-[[7-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]quinazolin-2-yl]amino]phenyl]-4H-pyridin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione
• PubChem CID: 177197568
• Molecular Formula: C46H48N8O3
• Molecular Weight: 760.94 g/mol
• Exact Mass: 760.38
• IUPAC Name: 3-[4-[1-[2-[4-[4-[[7-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]quinazolin-2-yl]amino]phenyl]-4H-pyridin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione
• SMILES: Cc1c(Cc2ccc3cnc(Nc4ccc(C5C=CN(CCN6CCC(c7ccc(C8CCC(=O)NC8=O)cc7)CC6)C=C5)cc4)nc3c2)cnc2c1NCCO2
• InChI: InChI=1S/C46H48N8O3/c1-30-38(29-48-45-43(30)47-18-25-57-45)26-31-2-3-37-28-49-46(51-41(37)27-31)50-39-10-8-33(9-11-39)35-16-21-54(22-17-35)24-23-53-19-14-34(15-20-53)32-4-6-36(7-5-32)40-12-13-42(55)52-44(40)56/h2-11,16-17,21-22,27-29,34-35,40,47H,12-15,18-20,23-26H2,1H3,(H,49,50,51)(H,52,55,56)
• InChIKey: FEMHRPXUMNXPCH-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 124.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.94
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[2-[4-[4-[[7-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]quinazolin-2-yl]amino]phenyl]-4H-pyridin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione?

The IUPAC name of 3-[4-[1-[2-[4-[4-[[7-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]quinazolin-2-yl]amino]phenyl]-4H-pyridin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione (CID 177197568) is 3-[4-[1-[2-[4-[4-[[7-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]quinazolin-2-yl]amino]phenyl]-4H-pyridin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione.

What is the SMILES notation for 3-[4-[1-[2-[4-[4-[[7-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]quinazolin-2-yl]amino]phenyl]-4H-pyridin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione?

The canonical SMILES for 3-[4-[1-[2-[4-[4-[[7-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]quinazolin-2-yl]amino]phenyl]-4H-pyridin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione is Cc1c(Cc2ccc3cnc(Nc4ccc(C5C=CN(CCN6CCC(c7ccc(C8CCC(=O)NC8=O)cc7)CC6)C=C5)cc4)nc3c2)cnc2c1NCCO2.

What is the InChIKey of 3-[4-[1-[2-[4-[4-[[7-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]quinazolin-2-yl]amino]phenyl]-4H-pyridin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione?

The InChIKey is FEMHRPXUMNXPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N8O3/c1-30-38(29-48-45-43(30)47-18-25-57-45)26-31-2-3-37-28-49-46(51-41(37)27-31)50-39-10-8-33(9-11-39)35-16-21-54(22-17-35)24-23-53-19-14-34(15-20-53)32-4-6-36(7-5-32)40-12-13-42(55)52-44(40)56/h2-11,16-17,21-22,27-29,34-35,40,47H,12-15,18-20,23-26H2,1H3,(H,49,50,51)(H,52,55,56).

What are the key properties of 3-[4-[1-[2-[4-[4-[[7-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]quinazolin-2-yl]amino]phenyl]-4H-pyridin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione?

3-[4-[1-[2-[4-[4-[[7-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]quinazolin-2-yl]amino]phenyl]-4H-pyridin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione has a molecular weight of 760.94 g/mol, XLogP of 7.30, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[1-[2-[4-[4-[[7-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]quinazolin-2-yl]amino]phenyl]-4H-pyridin-1-yl]ethyl]piperidin-4-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 177197568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).