3,6-bis(2-pyrrolidin-1-ylethoxy)acridine

C25H31N3O2 — CID 20553493

IUPAC3,6-bis(2-pyrrolidin-1-ylethoxy)acridine
SMILESc1cc2cc3ccc(OCCN4CCCC4)cc3nc2cc1OCCN1CCCC1
InChIInChI=1S/C25H31N3O2/c1-2-10-27(9-1)13-15-29-22-7-5-20-17-21-6-8-23(19-25(21)26-24(20)18-22)30-16-14-28-11-3-4-12-28/h5-8,17-19H,1-4,9-16H2
InChIKeyNHYDDYWWWOZBKE-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.34
Rot. Bonds8

About 3,6-bis(2-pyrrolidin-1-ylethoxy)acridine

3,6-bis(2-pyrrolidin-1-ylethoxy)acridine (PubChem CID 20553493) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 3,6-bis(2-pyrrolidin-1-ylethoxy)acridine.

Molecular Properties

Compound Name3,6-bis(2-pyrrolidin-1-ylethoxy)acridine
PubChem CID20553493
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name3,6-bis(2-pyrrolidin-1-ylethoxy)acridine
SMILESc1cc2cc3ccc(OCCN4CCCC4)cc3nc2cc1OCCN1CCCC1
InChIInChI=1S/C25H31N3O2/c1-2-10-27(9-1)13-15-29-22-7-5-20-17-21-6-8-23(19-25(21)26-24(20)18-22)30-16-14-28-11-3-4-12-28/h5-8,17-19H,1-4,9-16H2
InChIKeyNHYDDYWWWOZBKE-UHFFFAOYSA-N
XLogP4.34
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2-pyrrolidin-1-ylethoxy)acridine?
The IUPAC name of 3,6-bis(2-pyrrolidin-1-ylethoxy)acridine (CID 20553493) is 3,6-bis(2-pyrrolidin-1-ylethoxy)acridine.
What is the SMILES notation for 3,6-bis(2-pyrrolidin-1-ylethoxy)acridine?
The canonical SMILES for 3,6-bis(2-pyrrolidin-1-ylethoxy)acridine is c1cc2cc3ccc(OCCN4CCCC4)cc3nc2cc1OCCN1CCCC1.
What is the InChIKey of 3,6-bis(2-pyrrolidin-1-ylethoxy)acridine?
The InChIKey is NHYDDYWWWOZBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-2-10-27(9-1)13-15-29-22-7-5-20-17-21-6-8-23(19-25(21)26-24(20)18-22)30-16-14-28-11-3-4-12-28/h5-8,17-19H,1-4,9-16H2.
What are the key properties of 3,6-bis(2-pyrrolidin-1-ylethoxy)acridine?
3,6-bis(2-pyrrolidin-1-ylethoxy)acridine has a molecular weight of 405.54 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2-pyrrolidin-1-ylethoxy)acridine is sourced from PubChem (CID 20553493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).