N-[4-[3-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]benzoyl]amino]propylcarbamoyl]-7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]heptyl]-8-hydroxyquinoline-7-carboxamide

C107H148N8O34 — CID 59289192

IUPACN-[4-[3-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]benzoyl]amino]propylcarbamoyl]-7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]heptyl]-8-hydroxyquinoline-7-carboxamide
SMILESCOCCOCCOCCOc1cc(COc2cc(OCc3cc(OCCOCCOCCOC)c(OCCOCCOCCOC)c(OCCOCCOCCOC)c3)cc(C(=O)NCCCNC(=O)C(CCCNC(=O)c3ccc4cccnc4c3O)(CCCNC(=O)c3ccc4cccnc4c3O)CCCNC(=O)c3ccc4cccnc4c3O)c2)cc(OCCOCCOCCOC)c1OCCOCCOCCOC
InChIInChI=1S/C107H148N8O34/c1-124-34-40-130-46-52-136-58-64-142-90-70-79(71-91(143-65-59-137-53-47-131-41-35-125-2)100(90)146-68-62-140-56-50-134-44-38-128-5)77-148-85-74-84(75-86(76-85)149-78-80-72-92(144-66-60-138-54-48-132-42-36-126-3)101(147-69-63-141-57-51-135-45-39-129-6)93(73-80)145-67-61-139-55-49-133-43-37-127-4)102(119)111-32-13-33-115-106(123)107(23-10-29-112-103(120)87-20-17-81-14-7-26-108-94(81)97(87)116,24-11-30-113-104(121)88-21-18-82-15-8-27-109-95(82)98(88)117)25-12-31-114-105(122)89-22-19-83-16-9-28-110-96(83)99(89)118/h7-9,14-22,26-28,70-76,116-118H,10-13,23-25,29-69,77-78H2,1-6H3,(H,111,119)(H,112,120)(H,113,121)(H,114,122)(H,115,123)
InChIKeyFKRDODJURHGXQL-UHFFFAOYSA-N
MW2090.38 g/mol
LogP9.81
Rot. Bonds87

About N-[4-[3-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]benzoyl]amino]propylcarbamoyl]-7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]heptyl]-8-hydroxyquinoline-7-carboxamide

N-[4-[3-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]benzoyl]amino]propylcarbamoyl]-7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]heptyl]-8-hydroxyquinoline-7-carboxamide (PubChem CID 59289192) has the molecular formula C107H148N8O34 and a molecular weight of 2090.38 g/mol. Its IUPAC name is N-[4-[3-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]benzoyl]amino]propylcarbamoyl]-7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]heptyl]-8-hydroxyquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[4-[3-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]benzoyl]amino]propylcarbamoyl]-7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]heptyl]-8-hydroxyquinoline-7-carboxamide
PubChem CID59289192
Molecular FormulaC107H148N8O34
Molecular Weight2090.38 g/mol
Exact Mass2089.01
IUPAC NameN-[4-[3-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]benzoyl]amino]propylcarbamoyl]-7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]heptyl]-8-hydroxyquinoline-7-carboxamide
SMILESCOCCOCCOCCOc1cc(COc2cc(OCc3cc(OCCOCCOCCOC)c(OCCOCCOCCOC)c(OCCOCCOCCOC)c3)cc(C(=O)NCCCNC(=O)C(CCCNC(=O)c3ccc4cccnc4c3O)(CCCNC(=O)c3ccc4cccnc4c3O)CCCNC(=O)c3ccc4cccnc4c3O)c2)cc(OCCOCCOCCOC)c1OCCOCCOCCOC
InChIInChI=1S/C107H148N8O34/c1-124-34-40-130-46-52-136-58-64-142-90-70-79(71-91(143-65-59-137-53-47-131-41-35-125-2)100(90)146-68-62-140-56-50-134-44-38-128-5)77-148-85-74-84(75-86(76-85)149-78-80-72-92(144-66-60-138-54-48-132-42-36-126-3)101(147-69-63-141-57-51-135-45-39-129-6)93(73-80)145-67-61-139-55-49-133-43-37-127-4)102(119)111-32-13-33-115-106(123)107(23-10-29-112-103(120)87-20-17-81-14-7-26-108-94(81)97(87)116,24-11-30-113-104(121)88-21-18-82-15-8-27-109-95(82)98(88)117)25-12-31-114-105(122)89-22-19-83-16-9-28-110-96(83)99(89)118/h7-9,14-22,26-28,70-76,116-118H,10-13,23-25,29-69,77-78H2,1-6H3,(H,111,119)(H,112,120)(H,113,121)(H,114,122)(H,115,123)
InChIKeyFKRDODJURHGXQL-UHFFFAOYSA-N
XLogP9.81
TPSA484.84 Ų
H-Bond Donors8
H-Bond Acceptors37
Rotatable Bonds87
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002090.38
LogP ≤ 59.81
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze N-[4-[3-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]benzoyl]amino]propylcarbamoyl]-7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]heptyl]-8-hydroxyquinoline-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]benzoyl]amino]propylcarbamoyl]-7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]heptyl]-8-hydroxyquinoline-7-carboxamide?
The IUPAC name of N-[4-[3-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]benzoyl]amino]propylcarbamoyl]-7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]heptyl]-8-hydroxyquinoline-7-carboxamide (CID 59289192) is N-[4-[3-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]benzoyl]amino]propylcarbamoyl]-7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]heptyl]-8-hydroxyquinoline-7-carboxamide.
What is the SMILES notation for N-[4-[3-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]benzoyl]amino]propylcarbamoyl]-7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]heptyl]-8-hydroxyquinoline-7-carboxamide?
The canonical SMILES for N-[4-[3-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]benzoyl]amino]propylcarbamoyl]-7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]heptyl]-8-hydroxyquinoline-7-carboxamide is COCCOCCOCCOc1cc(COc2cc(OCc3cc(OCCOCCOCCOC)c(OCCOCCOCCOC)c(OCCOCCOCCOC)c3)cc(C(=O)NCCCNC(=O)C(CCCNC(=O)c3ccc4cccnc4c3O)(CCCNC(=O)c3ccc4cccnc4c3O)CCCNC(=O)c3ccc4cccnc4c3O)c2)cc(OCCOCCOCCOC)c1OCCOCCOCCOC.
What is the InChIKey of N-[4-[3-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]benzoyl]amino]propylcarbamoyl]-7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]heptyl]-8-hydroxyquinoline-7-carboxamide?
The InChIKey is FKRDODJURHGXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H148N8O34/c1-124-34-40-130-46-52-136-58-64-142-90-70-79(71-91(143-65-59-137-53-47-131-41-35-125-2)100(90)146-68-62-140-56-50-134-44-38-128-5)77-148-85-74-84(75-86(76-85)149-78-80-72-92(144-66-60-138-54-48-132-42-36-126-3)101(147-69-63-141-57-51-135-45-39-129-6)93(73-80)145-67-61-139-55-49-133-43-37-127-4)102(119)111-32-13-33-115-106(123)107(23-10-29-112-103(120)87-20-17-81-14-7-26-108-94(81)97(87)116,24-11-30-113-104(121)88-21-18-82-15-8-27-109-95(82)98(88)117)25-12-31-114-105(122)89-22-19-83-16-9-28-110-96(83)99(89)118/h7-9,14-22,26-28,70-76,116-118H,10-13,23-25,29-69,77-78H2,1-6H3,(H,111,119)(H,112,120)(H,113,121)(H,114,122)(H,115,123).
What are the key properties of N-[4-[3-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]benzoyl]amino]propylcarbamoyl]-7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]heptyl]-8-hydroxyquinoline-7-carboxamide?
N-[4-[3-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]benzoyl]amino]propylcarbamoyl]-7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]heptyl]-8-hydroxyquinoline-7-carboxamide has a molecular weight of 2090.38 g/mol, XLogP of 9.81, 87 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]benzoyl]amino]propylcarbamoyl]-7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]heptyl]-8-hydroxyquinoline-7-carboxamide is sourced from PubChem (CID 59289192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).