2,7-bis[2-(ethylamino)ethoxy]-10-methylacridin-9-one

C22H29N3O3 — CID 57439698

IUPAC2,7-bis[2-(ethylamino)ethoxy]-10-methylacridin-9-one
SMILESCCNCCOc1ccc2c(c1)c(=O)c1cc(OCCNCC)ccc1n2C
InChIInChI=1S/C22H29N3O3/c1-4-23-10-12-27-16-6-8-20-18(14-16)22(26)19-15-17(28-13-11-24-5-2)7-9-21(19)25(20)3/h6-9,14-15,23-24H,4-5,10-13H2,1-3H3
InChIKeyROAFOSHBRLWYFJ-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.67
Rot. Bonds10

About 2,7-bis[2-(ethylamino)ethoxy]-10-methylacridin-9-one

2,7-bis[2-(ethylamino)ethoxy]-10-methylacridin-9-one (PubChem CID 57439698) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2,7-bis[2-(ethylamino)ethoxy]-10-methylacridin-9-one.

Molecular Properties

Compound Name2,7-bis[2-(ethylamino)ethoxy]-10-methylacridin-9-one
PubChem CID57439698
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2,7-bis[2-(ethylamino)ethoxy]-10-methylacridin-9-one
SMILESCCNCCOc1ccc2c(c1)c(=O)c1cc(OCCNCC)ccc1n2C
InChIInChI=1S/C22H29N3O3/c1-4-23-10-12-27-16-6-8-20-18(14-16)22(26)19-15-17(28-13-11-24-5-2)7-9-21(19)25(20)3/h6-9,14-15,23-24H,4-5,10-13H2,1-3H3
InChIKeyROAFOSHBRLWYFJ-UHFFFAOYSA-N
XLogP2.67
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
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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Related Compounds

N-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine
CID 57439519
2,7-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one
CID 11420554
10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one
CID 57439740
2,6-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one
CID 57439722
10-methyl-2-(2-pyrrol-1-ylethoxy)acridin-9-one
CID 70576800
2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one
CID 57439670
2,7-bis[2-(propylamino)ethoxy]-10H-acridin-9-one
CID 57439648
6-[2-(dimethylamino)ethoxy]-2-methoxy-10-methylacridin-9-one
CID 21323242
N-ethyl-2-[[7-[2-(ethylamino)ethoxy]-9H-carbazol-2-yl]oxy]ethanamine
CID 57439411
2-(3,4-dichlorophenoxy)-N-ethylethanamine
CID 6457952
2-dibenzofuran-2-yloxy-N-ethylethanamine
CID 55152660
3,6-bis[2-(propylamino)ethoxy]xanthen-9-one
CID 57439577

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[2-(ethylamino)ethoxy]-10-methylacridin-9-one?
The IUPAC name of 2,7-bis[2-(ethylamino)ethoxy]-10-methylacridin-9-one (CID 57439698) is 2,7-bis[2-(ethylamino)ethoxy]-10-methylacridin-9-one.
What is the SMILES notation for 2,7-bis[2-(ethylamino)ethoxy]-10-methylacridin-9-one?
The canonical SMILES for 2,7-bis[2-(ethylamino)ethoxy]-10-methylacridin-9-one is CCNCCOc1ccc2c(c1)c(=O)c1cc(OCCNCC)ccc1n2C.
What is the InChIKey of 2,7-bis[2-(ethylamino)ethoxy]-10-methylacridin-9-one?
The InChIKey is ROAFOSHBRLWYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-23-10-12-27-16-6-8-20-18(14-16)22(26)19-15-17(28-13-11-24-5-2)7-9-21(19)25(20)3/h6-9,14-15,23-24H,4-5,10-13H2,1-3H3.
What are the key properties of 2,7-bis[2-(ethylamino)ethoxy]-10-methylacridin-9-one?
2,7-bis[2-(ethylamino)ethoxy]-10-methylacridin-9-one has a molecular weight of 383.49 g/mol, XLogP of 2.67, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[2-(ethylamino)ethoxy]-10-methylacridin-9-one is sourced from PubChem (CID 57439698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).