4,5-dichloro-3,6-bis(2-pyrrolidin-1-ylethoxy)acridine

C25H29Cl2N3O2 — CID 20553485

IUPAC4,5-dichloro-3,6-bis(2-pyrrolidin-1-ylethoxy)acridine
SMILESClc1c(OCCN2CCCC2)ccc2cc3ccc(OCCN4CCCC4)c(Cl)c3nc12
InChIInChI=1S/C25H29Cl2N3O2/c26-22-20(31-15-13-29-9-1-2-10-29)7-5-18-17-19-6-8-21(23(27)25(19)28-24(18)22)32-16-14-30-11-3-4-12-30/h5-8,17H,1-4,9-16H2
InChIKeyJMZFZTAPTFKZKW-UHFFFAOYSA-N
MW474.43 g/mol
LogP5.64
Rot. Bonds8

About 4,5-dichloro-3,6-bis(2-pyrrolidin-1-ylethoxy)acridine

4,5-dichloro-3,6-bis(2-pyrrolidin-1-ylethoxy)acridine (PubChem CID 20553485) has the molecular formula C25H29Cl2N3O2 and a molecular weight of 474.43 g/mol. Its IUPAC name is 4,5-dichloro-3,6-bis(2-pyrrolidin-1-ylethoxy)acridine.

Molecular Properties

Compound Name4,5-dichloro-3,6-bis(2-pyrrolidin-1-ylethoxy)acridine
PubChem CID20553485
Molecular FormulaC25H29Cl2N3O2
Molecular Weight474.43 g/mol
Exact Mass473.16
IUPAC Name4,5-dichloro-3,6-bis(2-pyrrolidin-1-ylethoxy)acridine
SMILESClc1c(OCCN2CCCC2)ccc2cc3ccc(OCCN4CCCC4)c(Cl)c3nc12
InChIInChI=1S/C25H29Cl2N3O2/c26-22-20(31-15-13-29-9-1-2-10-29)7-5-18-17-19-6-8-21(23(27)25(19)28-24(18)22)32-16-14-30-11-3-4-12-30/h5-8,17H,1-4,9-16H2
InChIKeyJMZFZTAPTFKZKW-UHFFFAOYSA-N
XLogP5.64
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.43
LogP ≤ 55.64
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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Related Compounds

4,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)acridine
CID 20553499
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
CID 803399
2,6-dichloro-3-(2-pyrrolidin-1-ylethoxy)benzoic acid;hydrochloride
CID 67768016
2-chloro-4-(2-pyrrolidin-1-ylethoxy)pyridine
CID 63778456
1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine
CID 10852867
methyl 2,6-dichloro-3-(2-pyrrolidin-1-ylethoxy)benzoate
CID 54055500
1-[2-(4-bromo-2-methylphenoxy)ethyl]piperidine
CID 803338
4-chloro-6-(2-piperidin-1-ylethoxy)pyrimidine
CID 61277940
1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine
CID 63529278
3,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)-4H-acridine
CID 70449102
1-[2-(4-azido-2-chlorophenoxy)ethyl]piperidine
CID 150844111

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-3,6-bis(2-pyrrolidin-1-ylethoxy)acridine?
The IUPAC name of 4,5-dichloro-3,6-bis(2-pyrrolidin-1-ylethoxy)acridine (CID 20553485) is 4,5-dichloro-3,6-bis(2-pyrrolidin-1-ylethoxy)acridine.
What is the SMILES notation for 4,5-dichloro-3,6-bis(2-pyrrolidin-1-ylethoxy)acridine?
The canonical SMILES for 4,5-dichloro-3,6-bis(2-pyrrolidin-1-ylethoxy)acridine is Clc1c(OCCN2CCCC2)ccc2cc3ccc(OCCN4CCCC4)c(Cl)c3nc12.
What is the InChIKey of 4,5-dichloro-3,6-bis(2-pyrrolidin-1-ylethoxy)acridine?
The InChIKey is JMZFZTAPTFKZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2N3O2/c26-22-20(31-15-13-29-9-1-2-10-29)7-5-18-17-19-6-8-21(23(27)25(19)28-24(18)22)32-16-14-30-11-3-4-12-30/h5-8,17H,1-4,9-16H2.
What are the key properties of 4,5-dichloro-3,6-bis(2-pyrrolidin-1-ylethoxy)acridine?
4,5-dichloro-3,6-bis(2-pyrrolidin-1-ylethoxy)acridine has a molecular weight of 474.43 g/mol, XLogP of 5.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-3,6-bis(2-pyrrolidin-1-ylethoxy)acridine is sourced from PubChem (CID 20553485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).