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]-N-[2-[2-[2-[2-[2-[[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]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide

C60H66N12O12 — CID 123131635

About 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]-N-[2-[2-[2-[2-[2-[[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]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide

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]-N-[2-[2-[2-[2-[2-[[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]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide (PubChem CID 123131635) has the molecular formula C60H66N12O12 and a molecular weight of 1147.26 g/mol. Its IUPAC name is 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]-N-[2-[2-[2-[2-[2-[[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]acetyl]amino]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-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[[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]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
• PubChem CID: 123131635
• Molecular Formula: C60H66N12O12
• Molecular Weight: 1147.26 g/mol
• Exact Mass: 1146.49
• IUPAC Name: 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]-N-[2-[2-[2-[2-[2-[[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]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
• SMILES: COc1cc2c(cc1-c1c(C)noc1C)ncc1c2n([C@H](C)c2ccccn2)c(=O)n1CC(=O)NCCOCCOCCOCCOCCNC(=O)Cn1c(=O)n([C@@H](C)c2ccccn2)c2c3cc(OC)c(-c4c(C)noc4C)cc3ncc21
• InChI: InChI=1S/C60H66N12O12/c1-35-55(39(5)83-67-35)43-27-47-41(29-51(43)77-7)57-49(31-65-47)69(59(75)71(57)37(3)45-13-9-11-15-61-45)33-53(73)63-17-19-79-21-23-81-25-26-82-24-22-80-20-18-64-54(74)34-70-50-32-66-48-28-44(56-36(2)68-84-40(56)6)52(78-8)30-42(48)58(50)72(60(70)76)38(4)46-14-10-12-16-62-46/h9-16,27-32,37-38H,17-26,33-34H2,1-8H3,(H,63,73)(H,64,74)/t37-,38+
• InChIKey: JXLHJBYUGDELIZ-MAZIBIHTSA-N
• XLogP: 6.58
• TPSA: 271.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1147.26
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

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-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[[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]acetyl]amino]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-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[[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]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide (CID 123131635) is 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]-N-[2-[2-[2-[2-[2-[[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]acetyl]amino]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-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[[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]acetyl]amino]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-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[[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]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide is COc1cc2c(cc1-c1c(C)noc1C)ncc1c2n([C@H](C)c2ccccn2)c(=O)n1CC(=O)NCCOCCOCCOCCOCCNC(=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-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[[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]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?

The InChIKey is JXLHJBYUGDELIZ-MAZIBIHTSA-N. The full InChI is InChI=1S/C60H66N12O12/c1-35-55(39(5)83-67-35)43-27-47-41(29-51(43)77-7)57-49(31-65-47)69(59(75)71(57)37(3)45-13-9-11-15-61-45)33-53(73)63-17-19-79-21-23-81-25-26-82-24-22-80-20-18-64-54(74)34-70-50-32-66-48-28-44(56-36(2)68-84-40(56)6)52(78-8)30-42(48)58(50)72(60(70)76)38(4)46-14-10-12-16-62-46/h9-16,27-32,37-38H,17-26,33-34H2,1-8H3,(H,63,73)(H,64,74)/t37-,38+.

What are the key properties of 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]-N-[2-[2-[2-[2-[2-[[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]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?

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]-N-[2-[2-[2-[2-[2-[[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]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 1147.26 g/mol, XLogP of 6.58, 27 rotatable bonds, 2 hydrogen bond donors, and 22 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-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-3-yl]-N-[2-[2-[2-[2-[2-[[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]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 123131635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).