4-pyrrolidin-1-ylacridine

C17H16N2 — CID 154019163

IUPAC4-pyrrolidin-1-ylacridine
SMILESc1ccc2nc3c(N4CCCC4)cccc3cc2c1
InChIInChI=1S/C17H16N2/c1-2-8-15-13(6-1)12-14-7-5-9-16(17(14)18-15)19-10-3-4-11-19/h1-2,5-9,12H,3-4,10-11H2
InChIKeyGIXFXRJWZHPNDJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.99
Rot. Bonds1

About 4-pyrrolidin-1-ylacridine

4-pyrrolidin-1-ylacridine (PubChem CID 154019163) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylacridine.

Molecular Properties

Compound Name4-pyrrolidin-1-ylacridine
PubChem CID154019163
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name4-pyrrolidin-1-ylacridine
SMILESc1ccc2nc3c(N4CCCC4)cccc3cc2c1
InChIInChI=1S/C17H16N2/c1-2-8-15-13(6-1)12-14-7-5-9-16(17(14)18-15)19-10-3-4-11-19/h1-2,5-9,12H,3-4,10-11H2
InChIKeyGIXFXRJWZHPNDJ-UHFFFAOYSA-N
XLogP3.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-anthracen-1-ylpiperidine
CID 87717909
acridin-4-ylboronic acid
CID 158530162
(3-methyl-8-piperidin-1-ylquinolin-2-yl)hydrazine
CID 63232241
8-pyrrolidin-1-ylquinazoline
CID 66725106
acridine
CID 21226281
1-(8-pyrrolidin-1-ylquinolin-2-yl)ethanone
CID 70440018
4-propan-2-ylacridine
CID 87209750
acridine;iron
CID 158030240
acridine;sulfane
CID 159134653
acridine;methane
CID 21324126
acridine;dihydrate
CID 172843020
acridine;argon
CID 157415582

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylacridine?
The IUPAC name of 4-pyrrolidin-1-ylacridine (CID 154019163) is 4-pyrrolidin-1-ylacridine.
What is the SMILES notation for 4-pyrrolidin-1-ylacridine?
The canonical SMILES for 4-pyrrolidin-1-ylacridine is c1ccc2nc3c(N4CCCC4)cccc3cc2c1.
What is the InChIKey of 4-pyrrolidin-1-ylacridine?
The InChIKey is GIXFXRJWZHPNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-2-8-15-13(6-1)12-14-7-5-9-16(17(14)18-15)19-10-3-4-11-19/h1-2,5-9,12H,3-4,10-11H2.
What are the key properties of 4-pyrrolidin-1-ylacridine?
4-pyrrolidin-1-ylacridine has a molecular weight of 248.33 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylacridine is sourced from PubChem (CID 154019163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).