N,N'-bis(5-hydroxyacridin-4-yl)hexanediamide

C32H26N4O4 — CID 100979919

IUPACN,N'-bis(5-hydroxyacridin-4-yl)hexanediamide
SMILESO=C(CCCCC(=O)Nc1cccc2cc3cccc(O)c3nc12)Nc1cccc2cc3cccc(O)c3nc12
InChIInChI=1S/C32H26N4O4/c37-25-13-5-9-21-17-19-7-3-11-23(29(19)35-31(21)25)33-27(39)15-1-2-16-28(40)34-24-12-4-8-20-18-22-10-6-14-26(38)32(22)36-30(20)24/h3-14,17-18,37-38H,1-2,15-16H2,(H,33,39)(H,34,40)
InChIKeyIKICVCSTISLWKW-UHFFFAOYSA-N
MW530.58 g/mol
LogP6.64
Rot. Bonds7

About N,N'-bis(5-hydroxyacridin-4-yl)hexanediamide

N,N'-bis(5-hydroxyacridin-4-yl)hexanediamide (PubChem CID 100979919) has the molecular formula C32H26N4O4 and a molecular weight of 530.58 g/mol. Its IUPAC name is N,N'-bis(5-hydroxyacridin-4-yl)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(5-hydroxyacridin-4-yl)hexanediamide
PubChem CID100979919
Molecular FormulaC32H26N4O4
Molecular Weight530.58 g/mol
Exact Mass530.20
IUPAC NameN,N'-bis(5-hydroxyacridin-4-yl)hexanediamide
SMILESO=C(CCCCC(=O)Nc1cccc2cc3cccc(O)c3nc12)Nc1cccc2cc3cccc(O)c3nc12
InChIInChI=1S/C32H26N4O4/c37-25-13-5-9-21-17-19-7-3-11-23(29(19)35-31(21)25)33-27(39)15-1-2-16-28(40)34-24-12-4-8-20-18-22-10-6-14-26(38)32(22)36-30(20)24/h3-14,17-18,37-38H,1-2,15-16H2,(H,33,39)(H,34,40)
InChIKeyIKICVCSTISLWKW-UHFFFAOYSA-N
XLogP6.64
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.58
LogP ≤ 56.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(5-hydroxyacridin-4-yl)hexanediamide?
The IUPAC name of N,N'-bis(5-hydroxyacridin-4-yl)hexanediamide (CID 100979919) is N,N'-bis(5-hydroxyacridin-4-yl)hexanediamide.
What is the SMILES notation for N,N'-bis(5-hydroxyacridin-4-yl)hexanediamide?
The canonical SMILES for N,N'-bis(5-hydroxyacridin-4-yl)hexanediamide is O=C(CCCCC(=O)Nc1cccc2cc3cccc(O)c3nc12)Nc1cccc2cc3cccc(O)c3nc12.
What is the InChIKey of N,N'-bis(5-hydroxyacridin-4-yl)hexanediamide?
The InChIKey is IKICVCSTISLWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O4/c37-25-13-5-9-21-17-19-7-3-11-23(29(19)35-31(21)25)33-27(39)15-1-2-16-28(40)34-24-12-4-8-20-18-22-10-6-14-26(38)32(22)36-30(20)24/h3-14,17-18,37-38H,1-2,15-16H2,(H,33,39)(H,34,40).
What are the key properties of N,N'-bis(5-hydroxyacridin-4-yl)hexanediamide?
N,N'-bis(5-hydroxyacridin-4-yl)hexanediamide has a molecular weight of 530.58 g/mol, XLogP of 6.64, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(5-hydroxyacridin-4-yl)hexanediamide is sourced from PubChem (CID 100979919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).