(2,5-dihydroxypyrrol-1-yl) 6-(2-acetamido-9-oxoacridin-10-yl)hexanoate

C25H25N3O6 — CID 91365148

IUPAC(2,5-dihydroxypyrrol-1-yl) 6-(2-acetamido-9-oxoacridin-10-yl)hexanoate
SMILESCC(=O)Nc1ccc2c(c1)c(=O)c1ccccc1n2CCCCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C25H25N3O6/c1-16(29)26-17-10-11-21-19(15-17)25(33)18-7-4-5-8-20(18)27(21)14-6-2-3-9-24(32)34-28-22(30)12-13-23(28)31/h4-5,7-8,10-13,15,30-31H,2-3,6,9,14H2,1H3,(H,26,29)
InChIKeyIGKYWSPKJYBUKN-UHFFFAOYSA-N
MW463.49 g/mol
LogP3.54
Rot. Bonds8

About (2,5-dihydroxypyrrol-1-yl) 6-(2-acetamido-9-oxoacridin-10-yl)hexanoate

(2,5-dihydroxypyrrol-1-yl) 6-(2-acetamido-9-oxoacridin-10-yl)hexanoate (PubChem CID 91365148) has the molecular formula C25H25N3O6 and a molecular weight of 463.49 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 6-(2-acetamido-9-oxoacridin-10-yl)hexanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 6-(2-acetamido-9-oxoacridin-10-yl)hexanoate
PubChem CID91365148
Molecular FormulaC25H25N3O6
Molecular Weight463.49 g/mol
Exact Mass463.17
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 6-(2-acetamido-9-oxoacridin-10-yl)hexanoate
SMILESCC(=O)Nc1ccc2c(c1)c(=O)c1ccccc1n2CCCCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C25H25N3O6/c1-16(29)26-17-10-11-21-19(15-17)25(33)18-7-4-5-8-20(18)27(21)14-6-2-3-9-24(32)34-28-22(30)12-13-23(28)31/h4-5,7-8,10-13,15,30-31H,2-3,6,9,14H2,1H3,(H,26,29)
InChIKeyIGKYWSPKJYBUKN-UHFFFAOYSA-N
XLogP3.54
TPSA122.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (2,5-dihydroxypyrrol-1-yl) 6-(2-acetamido-9-oxoacridin-10-yl)hexanoate with MolForge

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Related Compounds

ethyl 6-(2-methoxy-9-oxoacridin-10-yl)hexanoate
CID 66663531
N-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
CID 22330387
(9-oxoacridin-10-yl) hexanoate
CID 154249788
bis(2,5-dihydroxypyrrol-1-yl) docosanedioate
CID 90829981
6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid
CID 10194105
6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid
CID 67024047
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
7-(9-oxo-2-sulfoacridin-10-yl)heptanoic acid
CID 87872408
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide
CID 15998549
6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide
CID 70696942
N-(9-acetylcarbazol-3-yl)acetamide
CID 3326945
N-[(4-acetamidophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide
CID 18154273

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 6-(2-acetamido-9-oxoacridin-10-yl)hexanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 6-(2-acetamido-9-oxoacridin-10-yl)hexanoate (CID 91365148) is (2,5-dihydroxypyrrol-1-yl) 6-(2-acetamido-9-oxoacridin-10-yl)hexanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 6-(2-acetamido-9-oxoacridin-10-yl)hexanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 6-(2-acetamido-9-oxoacridin-10-yl)hexanoate is CC(=O)Nc1ccc2c(c1)c(=O)c1ccccc1n2CCCCCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 6-(2-acetamido-9-oxoacridin-10-yl)hexanoate?
The InChIKey is IGKYWSPKJYBUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6/c1-16(29)26-17-10-11-21-19(15-17)25(33)18-7-4-5-8-20(18)27(21)14-6-2-3-9-24(32)34-28-22(30)12-13-23(28)31/h4-5,7-8,10-13,15,30-31H,2-3,6,9,14H2,1H3,(H,26,29).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 6-(2-acetamido-9-oxoacridin-10-yl)hexanoate?
(2,5-dihydroxypyrrol-1-yl) 6-(2-acetamido-9-oxoacridin-10-yl)hexanoate has a molecular weight of 463.49 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 6-(2-acetamido-9-oxoacridin-10-yl)hexanoate is sourced from PubChem (CID 91365148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).