10-(2-(18F)fluoroethyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine

C19H23FN3+ — CID 172807326

IUPAC10-(2-(18F)fluoroethyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine
SMILESCN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CC[18F])c2c1
InChIInChI=1S/C19H23FN3/c1-21(2)16-7-5-14-11-15-6-8-17(22(3)4)13-19(15)23(10-9-20)18(14)12-16/h5-8,11-13H,9-10H2,1-4H3/q+1/i20-1
InChIKeyRRPSPTMNZVAKMD-LRFGSCOBSA-N
MW311.41 g/mol
LogP3.38
Rot. Bonds4

About 10-(2-(18F)fluoroethyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine

10-(2-(18F)fluoroethyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine (PubChem CID 172807326) has the molecular formula C19H23FN3+ and a molecular weight of 311.41 g/mol. Its IUPAC name is 10-(2-(18F)fluoroethyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine.

Molecular Properties

Compound Name10-(2-(18F)fluoroethyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine
PubChem CID172807326
Molecular FormulaC19H23FN3+
Molecular Weight311.41 g/mol
Exact Mass311.19
IUPAC Name10-(2-(18F)fluoroethyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine
SMILESCN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CC[18F])c2c1
InChIInChI=1S/C19H23FN3/c1-21(2)16-7-5-14-11-15-6-8-17(22(3)4)13-19(15)23(10-9-20)18(14)12-16/h5-8,11-13H,9-10H2,1-4H3/q+1/i20-1
InChIKeyRRPSPTMNZVAKMD-LRFGSCOBSA-N
XLogP3.38
TPSA10.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(2-(18F)fluoroethyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine?
The IUPAC name of 10-(2-(18F)fluoroethyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine (CID 172807326) is 10-(2-(18F)fluoroethyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine.
What is the SMILES notation for 10-(2-(18F)fluoroethyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine?
The canonical SMILES for 10-(2-(18F)fluoroethyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine is CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CC[18F])c2c1.
What is the InChIKey of 10-(2-(18F)fluoroethyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine?
The InChIKey is RRPSPTMNZVAKMD-LRFGSCOBSA-N. The full InChI is InChI=1S/C19H23FN3/c1-21(2)16-7-5-14-11-15-6-8-17(22(3)4)13-19(15)23(10-9-20)18(14)12-16/h5-8,11-13H,9-10H2,1-4H3/q+1/i20-1.
What are the key properties of 10-(2-(18F)fluoroethyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine?
10-(2-(18F)fluoroethyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine has a molecular weight of 311.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-(18F)fluoroethyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine is sourced from PubChem (CID 172807326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).