4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)-10H-acridin-9-one

C26H34N2O6 — CID 102164600

IUPAC4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)-10H-acridin-9-one
SMILESO=c1c2ccccc2[nH]c2c(CN3CCOCCOCCOCCOCCOCC3)cccc12
InChIInChI=1S/C26H34N2O6/c29-26-22-5-1-2-7-24(22)27-25-21(4-3-6-23(25)26)20-28-8-10-30-12-14-32-16-18-34-19-17-33-15-13-31-11-9-28/h1-7H,8-20H2,(H,27,29)
InChIKeyTTYPRXFKLWPJRC-UHFFFAOYSA-N
MW470.57 g/mol
LogP2.58
Rot. Bonds2

About 4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)-10H-acridin-9-one

4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)-10H-acridin-9-one (PubChem CID 102164600) has the molecular formula C26H34N2O6 and a molecular weight of 470.57 g/mol. Its IUPAC name is 4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)-10H-acridin-9-one.

Molecular Properties

Compound Name4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)-10H-acridin-9-one
PubChem CID102164600
Molecular FormulaC26H34N2O6
Molecular Weight470.57 g/mol
Exact Mass470.24
IUPAC Name4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)-10H-acridin-9-one
SMILESO=c1c2ccccc2[nH]c2c(CN3CCOCCOCCOCCOCCOCC3)cccc12
InChIInChI=1S/C26H34N2O6/c29-26-22-5-1-2-7-24(22)27-25-21(4-3-6-23(25)26)20-28-8-10-30-12-14-32-16-18-34-19-17-33-15-13-31-11-9-28/h1-7H,8-20H2,(H,27,29)
InChIKeyTTYPRXFKLWPJRC-UHFFFAOYSA-N
XLogP2.58
TPSA82.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)-10H-acridin-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-ethyl-9H-carbazol-3-yl)morpholine
CID 663297
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 27887414
4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
CID 13041711
10H-acridin-9-one
CID 22753806
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
4-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]azetidin-3-yl]morpholine
CID 77085757
23-(naphthalen-1-ylmethyl)-17,20-dioxa-4,14,23,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione
CID 58021830
CID 131887032
CID 131887032
morpholin-4-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 31695814
4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-10H-acridin-9-one
CID 167988048
trifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide
CID 53488026
3-[(2-morpholin-4-ylethylamino)methyl]-4-oxo-1H-quinoline-2-carboxylic acid;hydrochloride
CID 161498572

Frequently Asked Questions

What is the IUPAC name of 4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)-10H-acridin-9-one?
The IUPAC name of 4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)-10H-acridin-9-one (CID 102164600) is 4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)-10H-acridin-9-one.
What is the SMILES notation for 4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)-10H-acridin-9-one?
The canonical SMILES for 4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)-10H-acridin-9-one is O=c1c2ccccc2[nH]c2c(CN3CCOCCOCCOCCOCCOCC3)cccc12.
What is the InChIKey of 4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)-10H-acridin-9-one?
The InChIKey is TTYPRXFKLWPJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O6/c29-26-22-5-1-2-7-24(22)27-25-21(4-3-6-23(25)26)20-28-8-10-30-12-14-32-16-18-34-19-17-33-15-13-31-11-9-28/h1-7H,8-20H2,(H,27,29).
What are the key properties of 4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)-10H-acridin-9-one?
4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)-10H-acridin-9-one has a molecular weight of 470.57 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)-10H-acridin-9-one is sourced from PubChem (CID 102164600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).