2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide

C66H78N12O15 — CID 123131636

About 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide

2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide (PubChem CID 123131636) has the molecular formula C66H78N12O15 and a molecular weight of 1279.42 g/mol. Its IUPAC name is 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
• PubChem CID: 123131636
• Molecular Formula: C66H78N12O15
• Molecular Weight: 1279.42 g/mol
• Exact Mass: 1278.57
• IUPAC Name: 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
• SMILES: COc1cc2c(cc1-c1c(C)noc1C)ncc1c2n([C@H](C)c2ccccn2)c(=O)n1CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)Cn1c(=O)n([C@@H](C)c2ccccn2)c2c3cc(OC)c(-c4c(C)noc4C)cc3ncc21
• InChI: InChI=1S/C66H78N12O15/c1-41-61(45(5)92-73-41)49-33-53-47(35-57(49)83-7)63-55(37-71-53)75(65(81)77(63)43(3)51-13-9-11-15-67-51)39-59(79)69-17-19-85-21-23-87-25-27-89-29-31-91-32-30-90-28-26-88-24-22-86-20-18-70-60(80)40-76-56-38-72-54-34-50(62-42(2)74-93-46(62)6)58(84-8)36-48(54)64(56)78(66(76)82)44(4)52-14-10-12-16-68-52/h9-16,33-38,43-44H,17-32,39-40H2,1-8H3,(H,69,79)(H,70,80)/t43-,44+
• InChIKey: GTOKRJQCMDFUOW-PIYFIQLCSA-N
• XLogP: 6.63
• TPSA: 298.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 36
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1279.42
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?

The IUPAC name of 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide (CID 123131636) is 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide.

What is the SMILES notation for 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?

The canonical SMILES for 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide is COc1cc2c(cc1-c1c(C)noc1C)ncc1c2n([C@H](C)c2ccccn2)c(=O)n1CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)Cn1c(=O)n([C@@H](C)c2ccccn2)c2c3cc(OC)c(-c4c(C)noc4C)cc3ncc21.

What is the InChIKey of 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?

The InChIKey is GTOKRJQCMDFUOW-PIYFIQLCSA-N. The full InChI is InChI=1S/C66H78N12O15/c1-41-61(45(5)92-73-41)49-33-53-47(35-57(49)83-7)63-55(37-71-53)75(65(81)77(63)43(3)51-13-9-11-15-67-51)39-59(79)69-17-19-85-21-23-87-25-27-89-29-31-91-32-30-90-28-26-88-24-22-86-20-18-70-60(80)40-76-56-38-72-54-34-50(62-42(2)74-93-46(62)6)58(84-8)36-48(54)64(56)78(66(76)82)44(4)52-14-10-12-16-68-52/h9-16,33-38,43-44H,17-32,39-40H2,1-8H3,(H,69,79)(H,70,80)/t43-,44+.

What are the key properties of 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?

2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 1279.42 g/mol, XLogP of 6.63, 36 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 123131636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).