10-[4-[bis(2-hydroxyethyl)amino]butyl]acridin-9-one

C21H26N2O3 — CID 11462368

IUPAC10-[4-[bis(2-hydroxyethyl)amino]butyl]acridin-9-one
SMILESO=c1c2ccccc2n(CCCCN(CCO)CCO)c2ccccc12
InChIInChI=1S/C21H26N2O3/c24-15-13-22(14-16-25)11-5-6-12-23-19-9-3-1-7-17(19)21(26)18-8-2-4-10-20(18)23/h1-4,7-10,24-25H,5-6,11-16H2
InChIKeyXAQOYAWAOVELBA-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.22
Rot. Bonds9

About 10-[4-[bis(2-hydroxyethyl)amino]butyl]acridin-9-one

10-[4-[bis(2-hydroxyethyl)amino]butyl]acridin-9-one (PubChem CID 11462368) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 10-[4-[bis(2-hydroxyethyl)amino]butyl]acridin-9-one.

Molecular Properties

Compound Name10-[4-[bis(2-hydroxyethyl)amino]butyl]acridin-9-one
PubChem CID11462368
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name10-[4-[bis(2-hydroxyethyl)amino]butyl]acridin-9-one
SMILESO=c1c2ccccc2n(CCCCN(CCO)CCO)c2ccccc12
InChIInChI=1S/C21H26N2O3/c24-15-13-22(14-16-25)11-5-6-12-23-19-9-3-1-7-17(19)21(26)18-8-2-4-10-20(18)23/h1-4,7-10,24-25H,5-6,11-16H2
InChIKeyXAQOYAWAOVELBA-UHFFFAOYSA-N
XLogP2.22
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

10-(3-hydroxypropyl)acridin-9-one
CID 12677142
10-(6-chlorohexyl)acridin-9-one
CID 44566069
N-(2-hydroxyethyl)-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 110885996
10-[2-(dimethylamino)ethyl]acridin-9-one
CID 3014731
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
5-[6-(3-hydroxypropoxy)hexyl]-12-[6-(3-methoxypropoxy)hexyl]quinolino[2,3-b]acridine-7,14-dione
CID 58732055
2-(9-oxoacridin-10-yl)acetyl chloride
CID 15839148
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
2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid
CID 66853989
bis[2-(9-oxoacridin-10-yl)ethyl] (E)-but-2-enedioate
CID 146937858
N-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide
CID 15998600

Frequently Asked Questions

What is the IUPAC name of 10-[4-[bis(2-hydroxyethyl)amino]butyl]acridin-9-one?
The IUPAC name of 10-[4-[bis(2-hydroxyethyl)amino]butyl]acridin-9-one (CID 11462368) is 10-[4-[bis(2-hydroxyethyl)amino]butyl]acridin-9-one.
What is the SMILES notation for 10-[4-[bis(2-hydroxyethyl)amino]butyl]acridin-9-one?
The canonical SMILES for 10-[4-[bis(2-hydroxyethyl)amino]butyl]acridin-9-one is O=c1c2ccccc2n(CCCCN(CCO)CCO)c2ccccc12.
What is the InChIKey of 10-[4-[bis(2-hydroxyethyl)amino]butyl]acridin-9-one?
The InChIKey is XAQOYAWAOVELBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-15-13-22(14-16-25)11-5-6-12-23-19-9-3-1-7-17(19)21(26)18-8-2-4-10-20(18)23/h1-4,7-10,24-25H,5-6,11-16H2.
What are the key properties of 10-[4-[bis(2-hydroxyethyl)amino]butyl]acridin-9-one?
10-[4-[bis(2-hydroxyethyl)amino]butyl]acridin-9-one has a molecular weight of 354.45 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[bis(2-hydroxyethyl)amino]butyl]acridin-9-one is sourced from PubChem (CID 11462368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).