7-[[5-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]methylcarbamoyl]-9-[(8-oxidoquinoline-7-carbonyl)amino]-5-[3-[(8-oxidoquinoline-7-carbonyl)amino]propyl]nonyl]carbamoyl]quinolin-8-olate;technetium-99

C106H144N7O33Tc-3 — CID 25028358

IUPAC7-[[5-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]methylcarbamoyl]-9-[(8-oxidoquinoline-7-carbonyl)amino]-5-[3-[(8-oxidoquinoline-7-carbonyl)amino]propyl]nonyl]carbamoyl]quinolin-8-olate;technetium-99
SMILESCOCCOCCOCCOc1cc(COc2cc(CNC(=O)C(CCCCNC(=O)c3ccc4cccnc4c3[O-])(CCCCNC(=O)c3ccc4cccnc4c3[O-])CCCNC(=O)c3ccc4cccnc4c3[O-])cc(OCc3cc(OCCOCCOCCOC)c(OCCOCCOCCOC)c(OCCOCCOCCOC)c3)c2)cc(OCCOCCOCCOC)c1OCCOCCOCCOC.[99Tc]
InChIInChI=1S/C106H147N7O33.Tc/c1-121-33-39-127-45-51-133-57-63-139-90-71-80(72-91(140-64-58-134-52-46-128-40-34-122-2)100(90)143-67-61-137-55-49-131-43-37-125-5)77-145-85-69-79(70-86(75-85)146-78-81-73-92(141-65-59-135-53-47-129-41-35-123-3)101(144-68-62-138-56-50-132-44-38-126-6)93(74-81)142-66-60-136-54-48-130-42-36-124-4)76-113-105(120)106(26-14-32-112-104(119)89-23-20-84-17-13-31-109-96(84)99(89)116,24-7-9-27-110-102(117)87-21-18-82-15-11-29-107-94(82)97(87)114)25-8-10-28-111-103(118)88-22-19-83-16-12-30-108-95(83)98(88)115;/h11-13,15-23,29-31,69-75,114-116H,7-10,14,24-28,32-68,76-78H2,1-6H3,(H,110,117)(H,111,118)(H,112,119)(H,113,120);/p-3/i;1+1
InChIKeyFOIXJGNKPVWTFM-IEOVAKBOSA-K
MW2143.24 g/mol
LogP9.07
Rot. Bonds86

About 7-[[5-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]methylcarbamoyl]-9-[(8-oxidoquinoline-7-carbonyl)amino]-5-[3-[(8-oxidoquinoline-7-carbonyl)amino]propyl]nonyl]carbamoyl]quinolin-8-olate;technetium-99

7-[[5-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]methylcarbamoyl]-9-[(8-oxidoquinoline-7-carbonyl)amino]-5-[3-[(8-oxidoquinoline-7-carbonyl)amino]propyl]nonyl]carbamoyl]quinolin-8-olate;technetium-99 (PubChem CID 25028358) has the molecular formula C106H144N7O33Tc-3 and a molecular weight of 2143.24 g/mol. Its IUPAC name is 7-[[5-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]methylcarbamoyl]-9-[(8-oxidoquinoline-7-carbonyl)amino]-5-[3-[(8-oxidoquinoline-7-carbonyl)amino]propyl]nonyl]carbamoyl]quinolin-8-olate;technetium-99.

Molecular Properties

Compound Name7-[[5-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]methylcarbamoyl]-9-[(8-oxidoquinoline-7-carbonyl)amino]-5-[3-[(8-oxidoquinoline-7-carbonyl)amino]propyl]nonyl]carbamoyl]quinolin-8-olate;technetium-99
PubChem CID25028358
Molecular FormulaC106H144N7O33Tc-3
Molecular Weight2143.24 g/mol
Exact Mass2141.89
IUPAC Name7-[[5-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]methylcarbamoyl]-9-[(8-oxidoquinoline-7-carbonyl)amino]-5-[3-[(8-oxidoquinoline-7-carbonyl)amino]propyl]nonyl]carbamoyl]quinolin-8-olate;technetium-99
SMILESCOCCOCCOCCOc1cc(COc2cc(CNC(=O)C(CCCCNC(=O)c3ccc4cccnc4c3[O-])(CCCCNC(=O)c3ccc4cccnc4c3[O-])CCCNC(=O)c3ccc4cccnc4c3[O-])cc(OCc3cc(OCCOCCOCCOC)c(OCCOCCOCCOC)c(OCCOCCOCCOC)c3)c2)cc(OCCOCCOCCOC)c1OCCOCCOCCOC.[99Tc]
InChIInChI=1S/C106H147N7O33.Tc/c1-121-33-39-127-45-51-133-57-63-139-90-71-80(72-91(140-64-58-134-52-46-128-40-34-122-2)100(90)143-67-61-137-55-49-131-43-37-125-5)77-145-85-69-79(70-86(75-85)146-78-81-73-92(141-65-59-135-53-47-129-41-35-123-3)101(144-68-62-138-56-50-132-44-38-126-6)93(74-81)142-66-60-136-54-48-130-42-36-124-4)76-113-105(120)106(26-14-32-112-104(119)89-23-20-84-17-13-31-109-96(84)99(89)116,24-7-9-27-110-102(117)87-21-18-82-15-11-29-107-94(82)97(87)114)25-8-10-28-111-103(118)88-22-19-83-16-12-30-108-95(83)98(88)115;/h11-13,15-23,29-31,69-75,114-116H,7-10,14,24-28,32-68,76-78H2,1-6H3,(H,110,117)(H,111,118)(H,112,119)(H,113,120);/p-3/i;1+1
InChIKeyFOIXJGNKPVWTFM-IEOVAKBOSA-K
XLogP9.07
TPSA464.23 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds86
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002143.24
LogP ≤ 59.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 7-[[5-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]methylcarbamoyl]-9-[(8-oxidoquinoline-7-carbonyl)amino]-5-[3-[(8-oxidoquinoline-7-carbonyl)amino]propyl]nonyl]carbamoyl]quinolin-8-olate;technetium-99 with MolForge

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Related Compounds

tetrasodium;3-[[5-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]methylcarbamoyl]-9-[(2,3-dioxidobenzoyl)amino]-5-[3-[(2,3-dioxidobenzoyl)amino]propyl]nonyl]carbamoyl]benzene-1,2-diolate;manganese(2+)
CID 25027925
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
sodium;gadolinium;bis(8-hydroxy-N-[7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]-4-[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methylcarbamoyl]heptyl]quinoline-7-carboxamide);manganese;methane;propane
CID 158431795
N-[7-[(2,3-dihydroxybenzoyl)amino]-4-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-4-[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methylcarbamoyl]heptyl]-2,3-dihydroxybenzamide
CID 59289160
8-hydroxy-N-[7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]-4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]heptyl]quinoline-7-carboxamide
CID 10419033
N-[2-[2-[2-[2-[2-[2-[2-[[5-[(2,3-dihydroxybenzoyl)amino]-2,2-bis[3-[(2,3-dihydroxybenzoyl)amino]propyl]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(3-pyridin-1-ium-1-ylpropylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide
CID 140732556
methyl 3,5-bis[[3,4,5-tris[2-(2-methoxyethoxy)ethoxy]phenyl]methoxy]-4-[[3,4,5-tris[[3,4,5-tris[2-(2-methoxyethoxy)ethoxy]phenyl]methoxy]phenyl]methoxy]benzoate
CID 102291539
6-methoxy-N-(2-methoxyethyl)quinoline-8-carboxamide
CID 175792430
8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide
CID 18372541
6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide
CID 55881590
N-[3-(diethylamino)propyl]-8-sulfanylquinoline-7-carboxamide
CID 159612824
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-2-carboxamide
CID 104696914

Frequently Asked Questions

What is the IUPAC name of 7-[[5-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]methylcarbamoyl]-9-[(8-oxidoquinoline-7-carbonyl)amino]-5-[3-[(8-oxidoquinoline-7-carbonyl)amino]propyl]nonyl]carbamoyl]quinolin-8-olate;technetium-99?
The IUPAC name of 7-[[5-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]methylcarbamoyl]-9-[(8-oxidoquinoline-7-carbonyl)amino]-5-[3-[(8-oxidoquinoline-7-carbonyl)amino]propyl]nonyl]carbamoyl]quinolin-8-olate;technetium-99 (CID 25028358) is 7-[[5-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]methylcarbamoyl]-9-[(8-oxidoquinoline-7-carbonyl)amino]-5-[3-[(8-oxidoquinoline-7-carbonyl)amino]propyl]nonyl]carbamoyl]quinolin-8-olate;technetium-99.
What is the SMILES notation for 7-[[5-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]methylcarbamoyl]-9-[(8-oxidoquinoline-7-carbonyl)amino]-5-[3-[(8-oxidoquinoline-7-carbonyl)amino]propyl]nonyl]carbamoyl]quinolin-8-olate;technetium-99?
The canonical SMILES for 7-[[5-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]methylcarbamoyl]-9-[(8-oxidoquinoline-7-carbonyl)amino]-5-[3-[(8-oxidoquinoline-7-carbonyl)amino]propyl]nonyl]carbamoyl]quinolin-8-olate;technetium-99 is COCCOCCOCCOc1cc(COc2cc(CNC(=O)C(CCCCNC(=O)c3ccc4cccnc4c3[O-])(CCCCNC(=O)c3ccc4cccnc4c3[O-])CCCNC(=O)c3ccc4cccnc4c3[O-])cc(OCc3cc(OCCOCCOCCOC)c(OCCOCCOCCOC)c(OCCOCCOCCOC)c3)c2)cc(OCCOCCOCCOC)c1OCCOCCOCCOC.[99Tc].
What is the InChIKey of 7-[[5-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]methylcarbamoyl]-9-[(8-oxidoquinoline-7-carbonyl)amino]-5-[3-[(8-oxidoquinoline-7-carbonyl)amino]propyl]nonyl]carbamoyl]quinolin-8-olate;technetium-99?
The InChIKey is FOIXJGNKPVWTFM-IEOVAKBOSA-K. The full InChI is InChI=1S/C106H147N7O33.Tc/c1-121-33-39-127-45-51-133-57-63-139-90-71-80(72-91(140-64-58-134-52-46-128-40-34-122-2)100(90)143-67-61-137-55-49-131-43-37-125-5)77-145-85-69-79(70-86(75-85)146-78-81-73-92(141-65-59-135-53-47-129-41-35-123-3)101(144-68-62-138-56-50-132-44-38-126-6)93(74-81)142-66-60-136-54-48-130-42-36-124-4)76-113-105(120)106(26-14-32-112-104(119)89-23-20-84-17-13-31-109-96(84)99(89)116,24-7-9-27-110-102(117)87-21-18-82-15-11-29-107-94(82)97(87)114)25-8-10-28-111-103(118)88-22-19-83-16-12-30-108-95(83)98(88)115;/h11-13,15-23,29-31,69-75,114-116H,7-10,14,24-28,32-68,76-78H2,1-6H3,(H,110,117)(H,111,118)(H,112,119)(H,113,120);/p-3/i;1+1.
What are the key properties of 7-[[5-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]methylcarbamoyl]-9-[(8-oxidoquinoline-7-carbonyl)amino]-5-[3-[(8-oxidoquinoline-7-carbonyl)amino]propyl]nonyl]carbamoyl]quinolin-8-olate;technetium-99?
7-[[5-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]methylcarbamoyl]-9-[(8-oxidoquinoline-7-carbonyl)amino]-5-[3-[(8-oxidoquinoline-7-carbonyl)amino]propyl]nonyl]carbamoyl]quinolin-8-olate;technetium-99 has a molecular weight of 2143.24 g/mol, XLogP of 9.07, 86 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-[[3,5-bis[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]methylcarbamoyl]-9-[(8-oxidoquinoline-7-carbonyl)amino]-5-[3-[(8-oxidoquinoline-7-carbonyl)amino]propyl]nonyl]carbamoyl]quinolin-8-olate;technetium-99 is sourced from PubChem (CID 25028358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).