4-(carboxymethoxy)-8-[[4-hydroxy-8-[[4-hydroxy-8-[[8-[[2-(2-hydroxyethoxy)acetyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carboxylic acid

C50H42N8O14 — CID 171921973

About 4-(carboxymethoxy)-8-[[4-hydroxy-8-[[4-hydroxy-8-[[8-[[2-(2-hydroxyethoxy)acetyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carboxylic acid

4-(carboxymethoxy)-8-[[4-hydroxy-8-[[4-hydroxy-8-[[8-[[2-(2-hydroxyethoxy)acetyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carboxylic acid (PubChem CID 171921973) has the molecular formula C50H42N8O14 and a molecular weight of 978.93 g/mol. Its IUPAC name is 4-(carboxymethoxy)-8-[[4-hydroxy-8-[[4-hydroxy-8-[[8-[[2-(2-hydroxyethoxy)acetyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carboxylic acid.

Molecular Properties

• Compound Name: 4-(carboxymethoxy)-8-[[4-hydroxy-8-[[4-hydroxy-8-[[8-[[2-(2-hydroxyethoxy)acetyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carboxylic acid
• PubChem CID: 171921973
• Molecular Formula: C50H42N8O14
• Molecular Weight: 978.93 g/mol
• Exact Mass: 978.28
• IUPAC Name: 4-(carboxymethoxy)-8-[[4-hydroxy-8-[[4-hydroxy-8-[[8-[[2-(2-hydroxyethoxy)acetyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carboxylic acid
• SMILES: CC(C)COc1cc(C(=O)Nc2cccc3c(O)cc(C(=O)Nc4cccc5c(O)cc(C(=O)Nc6cccc7c(OCC(=O)O)cc(C(=O)O)nc67)nc45)nc23)nc2c(NC(=O)COCCO)cccc12
• InChI: InChI=1S/C50H42N8O14/c1-24(2)21-71-39-19-35(54-45-27(39)9-5-11-29(45)51-41(62)22-70-16-15-59)49(67)57-31-13-4-8-26-37(60)17-33(52-44(26)31)47(65)56-30-12-3-7-25-38(61)18-34(53-43(25)30)48(66)58-32-14-6-10-28-40(72-23-42(63)64)20-36(50(68)69)55-46(28)32/h3-14,17-20,24,59H,15-16,21-23H2,1-2H3,(H,51,62)(H,52,60)(H,53,61)(H,56,65)(H,57,67)(H,58,66)(H,63,64)(H,68,69)
• InChIKey: KVSZZDHVGVGNHW-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 330.94 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	978.93
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(carboxymethoxy)-8-[[4-hydroxy-8-[[4-hydroxy-8-[[8-[[2-(2-hydroxyethoxy)acetyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carboxylic acid?

The IUPAC name of 4-(carboxymethoxy)-8-[[4-hydroxy-8-[[4-hydroxy-8-[[8-[[2-(2-hydroxyethoxy)acetyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carboxylic acid (CID 171921973) is 4-(carboxymethoxy)-8-[[4-hydroxy-8-[[4-hydroxy-8-[[8-[[2-(2-hydroxyethoxy)acetyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carboxylic acid.

What is the SMILES notation for 4-(carboxymethoxy)-8-[[4-hydroxy-8-[[4-hydroxy-8-[[8-[[2-(2-hydroxyethoxy)acetyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carboxylic acid?

The canonical SMILES for 4-(carboxymethoxy)-8-[[4-hydroxy-8-[[4-hydroxy-8-[[8-[[2-(2-hydroxyethoxy)acetyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carboxylic acid is CC(C)COc1cc(C(=O)Nc2cccc3c(O)cc(C(=O)Nc4cccc5c(O)cc(C(=O)Nc6cccc7c(OCC(=O)O)cc(C(=O)O)nc67)nc45)nc23)nc2c(NC(=O)COCCO)cccc12.

What is the InChIKey of 4-(carboxymethoxy)-8-[[4-hydroxy-8-[[4-hydroxy-8-[[8-[[2-(2-hydroxyethoxy)acetyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carboxylic acid?

The InChIKey is KVSZZDHVGVGNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N8O14/c1-24(2)21-71-39-19-35(54-45-27(39)9-5-11-29(45)51-41(62)22-70-16-15-59)49(67)57-31-13-4-8-26-37(60)17-33(52-44(26)31)47(65)56-30-12-3-7-25-38(61)18-34(53-43(25)30)48(66)58-32-14-6-10-28-40(72-23-42(63)64)20-36(50(68)69)55-46(28)32/h3-14,17-20,24,59H,15-16,21-23H2,1-2H3,(H,51,62)(H,52,60)(H,53,61)(H,56,65)(H,57,67)(H,58,66)(H,63,64)(H,68,69).

What are the key properties of 4-(carboxymethoxy)-8-[[4-hydroxy-8-[[4-hydroxy-8-[[8-[[2-(2-hydroxyethoxy)acetyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carboxylic acid?

4-(carboxymethoxy)-8-[[4-hydroxy-8-[[4-hydroxy-8-[[8-[[2-(2-hydroxyethoxy)acetyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carboxylic acid has a molecular weight of 978.93 g/mol, XLogP of 6.19, 18 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(carboxymethoxy)-8-[[4-hydroxy-8-[[4-hydroxy-8-[[8-[[2-(2-hydroxyethoxy)acetyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carboxylic acid is sourced from PubChem (CID 171921973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).