2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one

C23H31N3O3 — CID 57439670

IUPAC2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one
SMILESCCNCCCOc1ccc2c(=O)c3cc(OCCCNCC)ccc3[nH]c2c1
InChIInChI=1S/C23H31N3O3/c1-3-24-11-5-13-28-17-8-10-21-20(15-17)23(27)19-9-7-18(16-22(19)26-21)29-14-6-12-25-4-2/h7-10,15-16,24-25H,3-6,11-14H2,1-2H3,(H,26,27)
InChIKeyMGTGXOPXTYCXIY-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.44
Rot. Bonds12

About 2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one

2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one (PubChem CID 57439670) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one.

Molecular Properties

Compound Name2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one
PubChem CID57439670
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one
SMILESCCNCCCOc1ccc2c(=O)c3cc(OCCCNCC)ccc3[nH]c2c1
InChIInChI=1S/C23H31N3O3/c1-3-24-11-5-13-28-17-8-10-21-20(15-17)23(27)19-9-7-18(16-22(19)26-21)29-14-6-12-25-4-2/h7-10,15-16,24-25H,3-6,11-14H2,1-2H3,(H,26,27)
InChIKeyMGTGXOPXTYCXIY-UHFFFAOYSA-N
XLogP3.44
TPSA75.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.44
H-Bond Donors ≤ 53
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

2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one
CID 57439669
N-ethyl-2-[[7-[2-(ethylamino)ethoxy]-9H-carbazol-2-yl]oxy]ethanamine
CID 57439411
2,7-bis[2-(propylamino)ethoxy]-10H-acridin-9-one
CID 57439648
2-octoxy-10H-acridin-9-one
CID 611041
2,7-diethoxy-10H-acridin-9-one
CID 163923657
N-(7-ethoxy-9-oxo-10H-acridin-3-yl)formamide
CID 168651298
3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one
CID 57439687
2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one
CID 11406725
2,7-bis[2-(ethylamino)ethoxy]-10-methylacridin-9-one
CID 57439698
2,7-bis[2-(dimethylamino)ethoxy]-10H-acridin-9-one
CID 57439652
2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one
CID 57439654
3-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 24991441

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one?
The IUPAC name of 2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one (CID 57439670) is 2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one.
What is the SMILES notation for 2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one?
The canonical SMILES for 2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one is CCNCCCOc1ccc2c(=O)c3cc(OCCCNCC)ccc3[nH]c2c1.
What is the InChIKey of 2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one?
The InChIKey is MGTGXOPXTYCXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-3-24-11-5-13-28-17-8-10-21-20(15-17)23(27)19-9-7-18(16-22(19)26-21)29-14-6-12-25-4-2/h7-10,15-16,24-25H,3-6,11-14H2,1-2H3,(H,26,27).
What are the key properties of 2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one?
2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one has a molecular weight of 397.52 g/mol, XLogP of 3.44, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one is sourced from PubChem (CID 57439670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).