N,N-diethyl-9-phenoxyacridine-4-carboxamide

C24H22N2O2 — CID 11610386

IUPACN,N-diethyl-9-phenoxyacridine-4-carboxamide
SMILESCCN(CC)C(=O)c1cccc2c(Oc3ccccc3)c3ccccc3nc12
InChIInChI=1S/C24H22N2O2/c1-3-26(4-2)24(27)20-15-10-14-19-22(20)25-21-16-9-8-13-18(21)23(19)28-17-11-6-5-7-12-17/h5-16H,3-4H2,1-2H3
InChIKeyCKJYLLLOULOKQE-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.66
Rot. Bonds5

About N,N-diethyl-9-phenoxyacridine-4-carboxamide

N,N-diethyl-9-phenoxyacridine-4-carboxamide (PubChem CID 11610386) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N,N-diethyl-9-phenoxyacridine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-9-phenoxyacridine-4-carboxamide
PubChem CID11610386
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN,N-diethyl-9-phenoxyacridine-4-carboxamide
SMILESCCN(CC)C(=O)c1cccc2c(Oc3ccccc3)c3ccccc3nc12
InChIInChI=1S/C24H22N2O2/c1-3-26(4-2)24(27)20-15-10-14-19-22(20)25-21-16-9-8-13-18(21)23(19)28-17-11-6-5-7-12-17/h5-16H,3-4H2,1-2H3
InChIKeyCKJYLLLOULOKQE-UHFFFAOYSA-N
XLogP5.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N,N-diethyl-9-phenoxyacridine-4-carboxamide?
The IUPAC name of N,N-diethyl-9-phenoxyacridine-4-carboxamide (CID 11610386) is N,N-diethyl-9-phenoxyacridine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-9-phenoxyacridine-4-carboxamide?
The canonical SMILES for N,N-diethyl-9-phenoxyacridine-4-carboxamide is CCN(CC)C(=O)c1cccc2c(Oc3ccccc3)c3ccccc3nc12.
What is the InChIKey of N,N-diethyl-9-phenoxyacridine-4-carboxamide?
The InChIKey is CKJYLLLOULOKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-3-26(4-2)24(27)20-15-10-14-19-22(20)25-21-16-9-8-13-18(21)23(19)28-17-11-6-5-7-12-17/h5-16H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-9-phenoxyacridine-4-carboxamide?
N,N-diethyl-9-phenoxyacridine-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-9-phenoxyacridine-4-carboxamide is sourced from PubChem (CID 11610386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).