ethane;2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[2-[2-[2-[2-[2-[2-[2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-2-phenylacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-phenylacetamide;molecular hydrogen

C60H74N6O10S2 — CID 177054367

About ethane;2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[2-[2-[2-[2-[2-[2-[2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-2-phenylacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-phenylacetamide;molecular hydrogen

ethane;2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[2-[2-[2-[2-[2-[2-[2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-2-phenylacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-phenylacetamide;molecular hydrogen (PubChem CID 177054367) has the molecular formula C60H74N6O10S2 and a molecular weight of 1103.42 g/mol. Its IUPAC name is ethane;2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[2-[2-[2-[2-[2-[2-[2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-2-phenylacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-phenylacetamide;molecular hydrogen.

Molecular Properties

• Compound Name: ethane;2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[2-[2-[2-[2-[2-[2-[2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-2-phenylacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-phenylacetamide;molecular hydrogen
• PubChem CID: 177054367
• Molecular Formula: C60H74N6O10S2
• Molecular Weight: 1103.42 g/mol
• Exact Mass: 1102.49
• IUPAC Name: ethane;2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[2-[2-[2-[2-[2-[2-[2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-2-phenylacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-phenylacetamide;molecular hydrogen
• SMILES: CC.CCn1c(SC(C(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)C(Sc2nc3cc4ccccc4cc3c(=O)n2CC)c2ccccc2)c2ccccc2)nc2cc3ccccc3cc2c1=O.[H][H].[H][H]
• InChI: InChI=1S/C58H64N6O10S2.C2H6.2H2/c1-3-63-55(67)47-37-43-19-11-13-21-45(43)39-49(47)61-57(63)75-51(41-15-7-5-8-16-41)53(65)59-23-25-69-27-29-71-31-33-73-35-36-74-34-32-72-30-28-70-26-24-60-54(66)52(42-17-9-6-10-18-42)76-58-62-50-40-46-22-14-12-20-44(46)38-48(50)56(68)64(58)4-2;1-2;;/h5-22,37-40,51-52H,3-4,23-36H2,1-2H3,(H,59,65)(H,60,66);1-2H3;2*1H
• InChIKey: AMPRZBNQBIOMMO-UHFFFAOYSA-N
• XLogP: 9.67
• TPSA: 183.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 31
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1103.42
LogP ≤ 5	9.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[2-[2-[2-[2-[2-[2-[2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-2-phenylacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-phenylacetamide;molecular hydrogen?

The IUPAC name of ethane;2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[2-[2-[2-[2-[2-[2-[2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-2-phenylacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-phenylacetamide;molecular hydrogen (CID 177054367) is ethane;2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[2-[2-[2-[2-[2-[2-[2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-2-phenylacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-phenylacetamide;molecular hydrogen.

What is the SMILES notation for ethane;2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[2-[2-[2-[2-[2-[2-[2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-2-phenylacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-phenylacetamide;molecular hydrogen?

The canonical SMILES for ethane;2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[2-[2-[2-[2-[2-[2-[2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-2-phenylacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-phenylacetamide;molecular hydrogen is CC.CCn1c(SC(C(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)C(Sc2nc3cc4ccccc4cc3c(=O)n2CC)c2ccccc2)c2ccccc2)nc2cc3ccccc3cc2c1=O.[H][H].[H][H].

What is the InChIKey of ethane;2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[2-[2-[2-[2-[2-[2-[2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-2-phenylacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-phenylacetamide;molecular hydrogen?

The InChIKey is AMPRZBNQBIOMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H64N6O10S2.C2H6.2H2/c1-3-63-55(67)47-37-43-19-11-13-21-45(43)39-49(47)61-57(63)75-51(41-15-7-5-8-16-41)53(65)59-23-25-69-27-29-71-31-33-73-35-36-74-34-32-72-30-28-70-26-24-60-54(66)52(42-17-9-6-10-18-42)76-58-62-50-40-46-22-14-12-20-44(46)38-48(50)56(68)64(58)4-2;1-2;;/h5-22,37-40,51-52H,3-4,23-36H2,1-2H3,(H,59,65)(H,60,66);1-2H3;2*1H.

What are the key properties of ethane;2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[2-[2-[2-[2-[2-[2-[2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-2-phenylacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-phenylacetamide;molecular hydrogen?

ethane;2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[2-[2-[2-[2-[2-[2-[2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-2-phenylacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-phenylacetamide;molecular hydrogen has a molecular weight of 1103.42 g/mol, XLogP of 9.67, 31 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[2-[2-[2-[2-[2-[2-[2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-2-phenylacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-phenylacetamide;molecular hydrogen is sourced from PubChem (CID 177054367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).