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-[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]ethyl]acetamide

C56H58N12O10 — CID 122172643

IUPAC2-[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-[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]ethyl]acetamide
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1c2n([C@H](C)c2ccccn2)c(=O)n1CC(=O)NCCOCCOCCNC(=O)Cn1c(=O)n([C@H](C)c2ccccn2)c2c3cc(OC)c(-c4c(C)noc4C)cc3ncc21
InChIInChI=1S/C56H58N12O10/c1-31-51(35(5)77-63-31)39-23-43-37(25-47(39)73-7)53-45(27-61-43)65(55(71)67(53)33(3)41-13-9-11-15-57-41)29-49(69)59-17-19-75-21-22-76-20-18-60-50(70)30-66-46-28-62-44-24-40(52-32(2)64-78-36(52)6)48(74-8)26-38(44)54(46)68(56(66)72)34(4)42-14-10-12-16-58-42/h9-16,23-28,33-34H,17-22,29-30H2,1-8H3,(H,59,69)(H,60,70)/t33-,34-/m1/s1
InChIKeyRXAFLNFTNQFCIB-KKLWWLSJSA-N
MW1059.15 g/mol
LogP6.55
Rot. Bonds21

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-[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]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-[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]ethyl]acetamide (PubChem CID 122172643) has the molecular formula C56H58N12O10 and a molecular weight of 1059.15 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-[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]ethyl]acetamide.

Molecular Properties

Compound Name2-[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-[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]ethyl]acetamide
PubChem CID122172643
Molecular FormulaC56H58N12O10
Molecular Weight1059.15 g/mol
Exact Mass1058.44
IUPAC Name2-[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-[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]ethyl]acetamide
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1c2n([C@H](C)c2ccccn2)c(=O)n1CC(=O)NCCOCCOCCNC(=O)Cn1c(=O)n([C@H](C)c2ccccn2)c2c3cc(OC)c(-c4c(C)noc4C)cc3ncc21
InChIInChI=1S/C56H58N12O10/c1-31-51(35(5)77-63-31)39-23-43-37(25-47(39)73-7)53-45(27-61-43)65(55(71)67(53)33(3)41-13-9-11-15-57-41)29-49(69)59-17-19-75-21-22-76-20-18-60-50(70)30-66-46-28-62-44-24-40(52-32(2)64-78-36(52)6)48(74-8)26-38(44)54(46)68(56(66)72)34(4)42-14-10-12-16-58-42/h9-16,23-28,33-34H,17-22,29-30H2,1-8H3,(H,59,69)(H,60,70)/t33-,34-/m1/s1
InChIKeyRXAFLNFTNQFCIB-KKLWWLSJSA-N
XLogP6.55
TPSA252.60 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001059.15
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 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-[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]ethyl]acetamide with MolForge

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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-[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]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-[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]ethyl]acetamide (CID 122172643) 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-[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]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-[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]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-[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]ethyl]acetamide is COc1cc2c(cc1-c1c(C)noc1C)ncc1c2n([C@H](C)c2ccccn2)c(=O)n1CC(=O)NCCOCCOCCNC(=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-[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]ethyl]acetamide?
The InChIKey is RXAFLNFTNQFCIB-KKLWWLSJSA-N. The full InChI is InChI=1S/C56H58N12O10/c1-31-51(35(5)77-63-31)39-23-43-37(25-47(39)73-7)53-45(27-61-43)65(55(71)67(53)33(3)41-13-9-11-15-57-41)29-49(69)59-17-19-75-21-22-76-20-18-60-50(70)30-66-46-28-62-44-24-40(52-32(2)64-78-36(52)6)48(74-8)26-38(44)54(46)68(56(66)72)34(4)42-14-10-12-16-58-42/h9-16,23-28,33-34H,17-22,29-30H2,1-8H3,(H,59,69)(H,60,70)/t33-,34-/m1/s1.
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-[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]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-[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]ethyl]acetamide has a molecular weight of 1059.15 g/mol, XLogP of 6.55, 21 rotatable bonds, 2 hydrogen bond donors, and 20 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-[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]ethyl]acetamide is sourced from PubChem (CID 122172643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).