3-(9H-acridin-10-yl)propanoate;methane;tetraethylazanium

C25H38N2O2 — CID 159503562

IUPAC3-(9H-acridin-10-yl)propanoate;methane;tetraethylazanium
SMILESC.CC[N+](CC)(CC)CC.O=C([O-])CCN1c2ccccc2Cc2ccccc21
InChIInChI=1S/C16H15NO2.C8H20N.CH4/c18-16(19)9-10-17-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)17;1-5-9(6-2,7-3)8-4;/h1-8H,9-11H2,(H,18,19);5-8H2,1-4H3;1H4/q;+1;/p-1
InChIKeyLZRRVFJMUIEXPH-UHFFFAOYSA-M
MW398.59 g/mol
LogP4.39
Rot. Bonds7

About 3-(9H-acridin-10-yl)propanoate;methane;tetraethylazanium

3-(9H-acridin-10-yl)propanoate;methane;tetraethylazanium (PubChem CID 159503562) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is 3-(9H-acridin-10-yl)propanoate;methane;tetraethylazanium.

Molecular Properties

Compound Name3-(9H-acridin-10-yl)propanoate;methane;tetraethylazanium
PubChem CID159503562
Molecular FormulaC25H38N2O2
Molecular Weight398.59 g/mol
Exact Mass398.29
IUPAC Name3-(9H-acridin-10-yl)propanoate;methane;tetraethylazanium
SMILESC.CC[N+](CC)(CC)CC.O=C([O-])CCN1c2ccccc2Cc2ccccc21
InChIInChI=1S/C16H15NO2.C8H20N.CH4/c18-16(19)9-10-17-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)17;1-5-9(6-2,7-3)8-4;/h1-8H,9-11H2,(H,18,19);5-8H2,1-4H3;1H4/q;+1;/p-1
InChIKeyLZRRVFJMUIEXPH-UHFFFAOYSA-M
XLogP4.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(9H-acridin-10-yl)propanoate
CID 129155450
10-propyl-9H-acridine
CID 71122947
sodium 3-phenoxazin-10-ylpropanoate
CID 139603651
10-(2-nitrosoethyl)-9H-acridine
CID 167169061
6-(9H-acridin-10-yl)hexanoic acid
CID 66643396
9H-acridin-10-ylmethanol
CID 23521289
ethyl 3-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)propanoate
CID 142874027
1-(4-oxopentyl)-3H-indol-2-one
CID 114999184
6-(9H-acridin-10-yl)-N-(5-aminopentyl)hexanamide
CID 66643410
4-(3-oxo-1,4-benzoxazin-4-yl)butanoate
CID 7442942
1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061

Frequently Asked Questions

What is the IUPAC name of 3-(9H-acridin-10-yl)propanoate;methane;tetraethylazanium?
The IUPAC name of 3-(9H-acridin-10-yl)propanoate;methane;tetraethylazanium (CID 159503562) is 3-(9H-acridin-10-yl)propanoate;methane;tetraethylazanium.
What is the SMILES notation for 3-(9H-acridin-10-yl)propanoate;methane;tetraethylazanium?
The canonical SMILES for 3-(9H-acridin-10-yl)propanoate;methane;tetraethylazanium is C.CC[N+](CC)(CC)CC.O=C([O-])CCN1c2ccccc2Cc2ccccc21.
What is the InChIKey of 3-(9H-acridin-10-yl)propanoate;methane;tetraethylazanium?
The InChIKey is LZRRVFJMUIEXPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H15NO2.C8H20N.CH4/c18-16(19)9-10-17-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)17;1-5-9(6-2,7-3)8-4;/h1-8H,9-11H2,(H,18,19);5-8H2,1-4H3;1H4/q;+1;/p-1.
What are the key properties of 3-(9H-acridin-10-yl)propanoate;methane;tetraethylazanium?
3-(9H-acridin-10-yl)propanoate;methane;tetraethylazanium has a molecular weight of 398.59 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-acridin-10-yl)propanoate;methane;tetraethylazanium is sourced from PubChem (CID 159503562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).