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

C21H27N3O3 — CID 57439669

IUPAC2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one
SMILESCNCCCOc1ccc2c(=O)c3cc(OCCCNC)ccc3[nH]c2c1
InChIInChI=1S/C21H27N3O3/c1-22-9-3-11-26-15-6-8-19-18(13-15)21(25)17-7-5-16(14-20(17)24-19)27-12-4-10-23-2/h5-8,13-14,22-23H,3-4,9-12H2,1-2H3,(H,24,25)
InChIKeyPJTZELZAUIXNTC-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.66
Rot. Bonds10

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

2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one (PubChem CID 57439669) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one.

Molecular Properties

Compound Name2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one
PubChem CID57439669
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one
SMILESCNCCCOc1ccc2c(=O)c3cc(OCCCNC)ccc3[nH]c2c1
InChIInChI=1S/C21H27N3O3/c1-22-9-3-11-26-15-6-8-19-18(13-15)21(25)17-7-5-16(14-20(17)24-19)27-12-4-10-23-2/h5-8,13-14,22-23H,3-4,9-12H2,1-2H3,(H,24,25)
InChIKeyPJTZELZAUIXNTC-UHFFFAOYSA-N
XLogP2.66
TPSA75.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.66
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-(ethylamino)propoxy]-10H-acridin-9-one
CID 57439670
2,7-bis[2-(propylamino)ethoxy]-10H-acridin-9-one
CID 57439648
2-octoxy-10H-acridin-9-one
CID 611041
2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one
CID 11406725
2,7-diethoxy-10H-acridin-9-one
CID 163923657
2,7-bis[2-(dimethylamino)ethoxy]-10H-acridin-9-one
CID 57439652
3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one
CID 57439687
2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one
CID 57439654
N-(7-ethoxy-9-oxo-10H-acridin-3-yl)formamide
CID 168651298
N-ethyl-2-[[7-[2-(ethylamino)ethoxy]-9H-carbazol-2-yl]oxy]ethanamine
CID 57439411
3-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 24991441
trimethyl-[2-[[6-[2-(trimethylazaniumyl)ethoxy]-9H-carbazol-2-yl]oxy]ethyl]azanium
CID 57439447

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one?
The IUPAC name of 2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one (CID 57439669) is 2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one.
What is the SMILES notation for 2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one?
The canonical SMILES for 2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one is CNCCCOc1ccc2c(=O)c3cc(OCCCNC)ccc3[nH]c2c1.
What is the InChIKey of 2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one?
The InChIKey is PJTZELZAUIXNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-22-9-3-11-26-15-6-8-19-18(13-15)21(25)17-7-5-16(14-20(17)24-19)27-12-4-10-23-2/h5-8,13-14,22-23H,3-4,9-12H2,1-2H3,(H,24,25).
What are the key properties of 2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one?
2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one has a molecular weight of 369.47 g/mol, XLogP of 2.66, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one is sourced from PubChem (CID 57439669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).