8-[[8-[[8-[[8-(carbamoylamino)-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid

C41H27N9O10 — CID 171921971

IUPAC8-[[8-[[8-[[8-(carbamoylamino)-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid
SMILESNC(=O)Nc1cccc2c(O)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/C41H27N9O10/c42-41(60)50-24-12-4-8-19-31(53)15-27(45-36(19)24)39(57)48-22-10-2-6-17-29(51)13-25(43-34(17)22)37(55)47-21-9-1-5-18-30(52)14-26(44-33(18)21)38(56)49-23-11-3-7-20-32(54)16-28(40(58)59)46-35(20)23/h1-16H,(H,43,51)(H,44,52)(H,45,53)(H,46,54)(H,47,55)(H,48,57)(H,49,56)(H,58,59)(H3,42,50,60)
InChIKeyKXSUXRMHONMCRX-UHFFFAOYSA-N
MW805.72 g/mol
LogP5.65
Rot. Bonds8

About 8-[[8-[[8-[[8-(carbamoylamino)-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid

8-[[8-[[8-[[8-(carbamoylamino)-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid (PubChem CID 171921971) has the molecular formula C41H27N9O10 and a molecular weight of 805.72 g/mol. Its IUPAC name is 8-[[8-[[8-[[8-(carbamoylamino)-4-hydroxyquinoline-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-(carbamoylamino)-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid
PubChem CID171921971
Molecular FormulaC41H27N9O10
Molecular Weight805.72 g/mol
Exact Mass805.19
IUPAC Name8-[[8-[[8-[[8-(carbamoylamino)-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid
SMILESNC(=O)Nc1cccc2c(O)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/C41H27N9O10/c42-41(60)50-24-12-4-8-19-31(53)15-27(45-36(19)24)39(57)48-22-10-2-6-17-29(51)13-25(43-34(17)22)37(55)47-21-9-1-5-18-30(52)14-26(44-33(18)21)38(56)49-23-11-3-7-20-32(54)16-28(40(58)59)46-35(20)23/h1-16H,(H,43,51)(H,44,52)(H,45,53)(H,46,54)(H,47,55)(H,48,57)(H,49,56)(H,58,59)(H3,42,50,60)
InChIKeyKXSUXRMHONMCRX-UHFFFAOYSA-N
XLogP5.65
TPSA312.20 Ų
H-Bond Donors10
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500805.72
LogP ≤ 55.65
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1013

Analyze 8-[[8-[[8-[[8-(carbamoylamino)-4-hydroxyquinoline-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-(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
4-(3-Aminopropoxy)-8-[[[4-(3-aminopropoxy)-8-[[[4-(3-aminopropoxy)-8-[[[4-(3-aminopropoxy)-8-nitroquinolin-2-yl]-hydroxymethylidene]amino]quinolin-2-yl]-hydroxymethylidene]amino]quinolin-2-yl]-hydroxymethylidene]amino]quinoline-2-carboxylic acid
CID 136901841
8-[[8-[[8-[[8-(Carbamoylamino)-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-(carboxymethoxy)quinoline-2-carboxylic acid
CID 171921970
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
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
8-[[8-[[2-[[2-Formyl-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-hydroxyquinolin-8-yl]carbamoylamino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid
CID 171921979
3-[8-Acetamido-2-[[4-(3-azaniumylpropoxy)-2-[[6-[[4-(3-azaniumylpropoxy)-2-carboxyquinolin-8-yl]carbamoyl]-2-pyridinyl]methylcarbamoyl]quinolin-8-yl]carbamoyl]quinolin-4-yl]oxypropylazanium
CID 172914152
Plutonium 8-hydroxyquinolinate
CID 129693351
4,7-Bis(2-acetamidophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid
CID 21291301
8-[[(2-Carboxyquinolin-8-yl)amino]methylamino]quinoline-2-carboxylic acid
CID 58567111
8-(Quinoline-2-carbonylamino)quinoline-2-carboxylic acid
CID 118902335
Tetrakis(2-carboxyquinolin-8-olate);plutonium
CID 161590095

Frequently Asked Questions

What is the IUPAC name of 8-[[8-[[8-[[8-(carbamoylamino)-4-hydroxyquinoline-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-(carbamoylamino)-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid (CID 171921971) is 8-[[8-[[8-[[8-(carbamoylamino)-4-hydroxyquinoline-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-(carbamoylamino)-4-hydroxyquinoline-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-(carbamoylamino)-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid is NC(=O)Nc1cccc2c(O)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-(carbamoylamino)-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid?
The InChIKey is KXSUXRMHONMCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N9O10/c42-41(60)50-24-12-4-8-19-31(53)15-27(45-36(19)24)39(57)48-22-10-2-6-17-29(51)13-25(43-34(17)22)37(55)47-21-9-1-5-18-30(52)14-26(44-33(18)21)38(56)49-23-11-3-7-20-32(54)16-28(40(58)59)46-35(20)23/h1-16H,(H,43,51)(H,44,52)(H,45,53)(H,46,54)(H,47,55)(H,48,57)(H,49,56)(H,58,59)(H3,42,50,60).
What are the key properties of 8-[[8-[[8-[[8-(carbamoylamino)-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid?
8-[[8-[[8-[[8-(carbamoylamino)-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid has a molecular weight of 805.72 g/mol, XLogP of 5.65, 8 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[8-[[8-[[8-(carbamoylamino)-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid is sourced from PubChem (CID 171921971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).