8-[[8-[[8-[[8-acetamido-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid

C46H36N8O10 — CID 171921974

IUPAC8-[[8-[[8-[[8-acetamido-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid
SMILESCC(=O)Nc1cccc2c(OCC(C)C)cc(C(=O)Nc3cccc4c(O)cc(C(=O)Nc5cccc6c(O)cc(C(=O)Nc7cccc8c(O)cc(C(=O)O)nc78)nc56)nc34)nc12
InChIInChI=1S/C46H36N8O10/c1-21(2)20-64-38-19-33(50-42-26(38)11-7-12-27(42)47-22(3)55)45(61)54-29-14-5-9-24-36(57)16-31(49-40(24)29)43(59)52-28-13-4-8-23-35(56)17-32(48-39(23)28)44(60)53-30-15-6-10-25-37(58)18-34(46(62)63)51-41(25)30/h4-19,21H,20H2,1-3H3,(H,47,55)(H,48,56)(H,49,57)(H,51,58)(H,52,59)(H,53,60)(H,54,61)(H,62,63)
InChIKeyVYUCZQIEEXTZPK-UHFFFAOYSA-N
MW860.84 g/mol
LogP7.44
Rot. Bonds11

About 8-[[8-[[8-[[8-acetamido-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid

8-[[8-[[8-[[8-acetamido-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid (PubChem CID 171921974) has the molecular formula C46H36N8O10 and a molecular weight of 860.84 g/mol. Its IUPAC name is 8-[[8-[[8-[[8-acetamido-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-[[8-[[8-[[8-acetamido-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid
PubChem CID171921974
Molecular FormulaC46H36N8O10
Molecular Weight860.84 g/mol
Exact Mass860.26
IUPAC Name8-[[8-[[8-[[8-acetamido-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid
SMILESCC(=O)Nc1cccc2c(OCC(C)C)cc(C(=O)Nc3cccc4c(O)cc(C(=O)Nc5cccc6c(O)cc(C(=O)Nc7cccc8c(O)cc(C(=O)O)nc78)nc56)nc34)nc12
InChIInChI=1S/C46H36N8O10/c1-21(2)20-64-38-19-33(50-42-26(38)11-7-12-27(42)47-22(3)55)45(61)54-29-14-5-9-24-36(57)16-31(49-40(24)29)43(59)52-28-13-4-8-23-35(56)17-32(48-39(23)28)44(60)53-30-15-6-10-25-37(58)18-34(46(62)63)51-41(25)30/h4-19,21H,20H2,1-3H3,(H,47,55)(H,48,56)(H,49,57)(H,51,58)(H,52,59)(H,53,60)(H,54,61)(H,62,63)
InChIKeyVYUCZQIEEXTZPK-UHFFFAOYSA-N
XLogP7.44
TPSA275.18 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500860.84
LogP ≤ 57.44
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Analyze 8-[[8-[[8-[[8-acetamido-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid with MolForge

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Related Compounds

4-Ethoxy-8-[[4-hydroxy-8-[[4-hydroxy-8-[[4-(2-methylpropoxy)-8-[4-[3-[[(4-sulfamoylbenzoyl)amino]methyl]phenoxy]butylcarbamoylamino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carboxylic acid
CID 71741441
2-N,9-N-bis[4-[2-(dimethylamino)ethoxy]phenyl]-1,10-phenanthroline-2,9-dicarboxamide
CID 52913211
2-N,9-N-bis[4-(2-piperidin-1-ylethoxy)phenyl]-1,10-phenanthroline-2,9-dicarboxamide
CID 52914803
4-Methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid
CID 10806772
2-[2-[[4-Butan-2-yloxy-2-[[4-(carboxymethoxy)-2-methoxycarbonylquinolin-8-yl]carbamoyl]quinolin-8-yl]carbamoyl]-8-[(4-butan-2-yloxy-8-nitroquinoline-2-carbonyl)amino]quinolin-4-yl]oxyacetic acid
CID 171347416
8-({[4-(3-Aminopropoxy)-8-({[4-Hydroxy-8-({[4-(2-Methylpropoxy)-8-({[4-(3-{[(4-Sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-Yl]carbonyl}amino)quinolin-2-Yl]carbonyl}amino)quinolin-2-Yl]carbonyl}amino)-4-(Carboxymethoxy)quinoline-2-Carboxylic Acid
CID 71741442
8-Azanyl-4-(2-Methylpropoxy)quinoline-2-Carboxylic Acid
CID 86002223
4-(3-Aminopropoxy)-8-({[4-(3-Aminopropoxy)-8-({[4-(3-Aminopropoxy)-8-({[4-(3-Aminopropoxy)-8-Nitroquinolin-2-Yl]carbonyl}amino)quinolin-2-Yl]carbonyl}amino)quinolin-2-Yl]carbonyl}amino)quinoline-2-Carboxylic Acid
CID 101440415
Methyl 8-[[4-(2-methylpropoxy)-8-nitroquinoline-2-carbonyl]amino]-4-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]quinoline-2-carboxylate
CID 11974138
4-[(E)-4-(2-carboxy-6-fluoroquinolin-4-yl)oxy-4-[6-fluoro-4-(3-methylbut-2-enoxy)quinoline-2-carbonyl]oxybut-2-enoxy]-6-fluoroquinoline-2-carboxylic acid
CID 69537376
6-fluoro-4-methoxy-8-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)quinoline-2-carboxamide
CID 91471113
8-Azanyl-4-(3-Azanylpropoxy)quinoline-2-Carboxylic Acid
CID 102322894

Frequently Asked Questions

What is the IUPAC name of 8-[[8-[[8-[[8-acetamido-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid?
The IUPAC name of 8-[[8-[[8-[[8-acetamido-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid (CID 171921974) is 8-[[8-[[8-[[8-acetamido-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid.
What is the SMILES notation for 8-[[8-[[8-[[8-acetamido-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid?
The canonical SMILES for 8-[[8-[[8-[[8-acetamido-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid is CC(=O)Nc1cccc2c(OCC(C)C)cc(C(=O)Nc3cccc4c(O)cc(C(=O)Nc5cccc6c(O)cc(C(=O)Nc7cccc8c(O)cc(C(=O)O)nc78)nc56)nc34)nc12.
What is the InChIKey of 8-[[8-[[8-[[8-acetamido-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid?
The InChIKey is VYUCZQIEEXTZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N8O10/c1-21(2)20-64-38-19-33(50-42-26(38)11-7-12-27(42)47-22(3)55)45(61)54-29-14-5-9-24-36(57)16-31(49-40(24)29)43(59)52-28-13-4-8-23-35(56)17-32(48-39(23)28)44(60)53-30-15-6-10-25-37(58)18-34(46(62)63)51-41(25)30/h4-19,21H,20H2,1-3H3,(H,47,55)(H,48,56)(H,49,57)(H,51,58)(H,52,59)(H,53,60)(H,54,61)(H,62,63).
What are the key properties of 8-[[8-[[8-[[8-acetamido-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid?
8-[[8-[[8-[[8-acetamido-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid has a molecular weight of 860.84 g/mol, XLogP of 7.44, 11 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[8-[[8-[[8-acetamido-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid is sourced from PubChem (CID 171921974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).