2-[4,5-dichloro-6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine

C25H33Cl2N3O2 — CID 20553463

IUPAC2-[4,5-dichloro-6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc2cc3ccc(OCCN(CC)CC)c(Cl)c3nc2c1Cl
InChIInChI=1S/C25H33Cl2N3O2/c1-5-29(6-2)13-15-31-20-11-9-18-17-19-10-12-21(32-16-14-30(7-3)8-4)23(27)25(19)28-24(18)22(20)26/h9-12,17H,5-8,13-16H2,1-4H3
InChIKeyKBRYAUAQFKOQFH-UHFFFAOYSA-N
MW478.46 g/mol
LogP6.14
Rot. Bonds12

About 2-[4,5-dichloro-6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine

2-[4,5-dichloro-6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine (PubChem CID 20553463) has the molecular formula C25H33Cl2N3O2 and a molecular weight of 478.46 g/mol. Its IUPAC name is 2-[4,5-dichloro-6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[4,5-dichloro-6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine
PubChem CID20553463
Molecular FormulaC25H33Cl2N3O2
Molecular Weight478.46 g/mol
Exact Mass477.19
IUPAC Name2-[4,5-dichloro-6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc2cc3ccc(OCCN(CC)CC)c(Cl)c3nc2c1Cl
InChIInChI=1S/C25H33Cl2N3O2/c1-5-29(6-2)13-15-31-20-11-9-18-17-19-10-12-21(32-16-14-30(7-3)8-4)23(27)25(19)28-24(18)22(20)26/h9-12,17H,5-8,13-16H2,1-4H3
InChIKeyKBRYAUAQFKOQFH-UHFFFAOYSA-N
XLogP6.14
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.46
LogP ≤ 56.14
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 2-[4,5-dichloro-6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine?
The IUPAC name of 2-[4,5-dichloro-6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine (CID 20553463) is 2-[4,5-dichloro-6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine.
What is the SMILES notation for 2-[4,5-dichloro-6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine?
The canonical SMILES for 2-[4,5-dichloro-6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine is CCN(CC)CCOc1ccc2cc3ccc(OCCN(CC)CC)c(Cl)c3nc2c1Cl.
What is the InChIKey of 2-[4,5-dichloro-6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine?
The InChIKey is KBRYAUAQFKOQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33Cl2N3O2/c1-5-29(6-2)13-15-31-20-11-9-18-17-19-10-12-21(32-16-14-30(7-3)8-4)23(27)25(19)28-24(18)22(20)26/h9-12,17H,5-8,13-16H2,1-4H3.
What are the key properties of 2-[4,5-dichloro-6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine?
2-[4,5-dichloro-6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine has a molecular weight of 478.46 g/mol, XLogP of 6.14, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dichloro-6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine is sourced from PubChem (CID 20553463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).