[4-[2-(2-aminoethoxy)ethoxy]phenyl] acridine-9-carboxylate

C24H22N2O4 — CID 21267469

IUPAC[4-[2-(2-aminoethoxy)ethoxy]phenyl] acridine-9-carboxylate
SMILESNCCOCCOc1ccc(OC(=O)c2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C24H22N2O4/c25-13-14-28-15-16-29-17-9-11-18(12-10-17)30-24(27)23-19-5-1-3-7-21(19)26-22-8-4-2-6-20(22)23/h1-12H,13-16,25H2
InChIKeyVLUPZPHYVDCWNS-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.96
Rot. Bonds8

About [4-[2-(2-aminoethoxy)ethoxy]phenyl] acridine-9-carboxylate

[4-[2-(2-aminoethoxy)ethoxy]phenyl] acridine-9-carboxylate (PubChem CID 21267469) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is [4-[2-(2-aminoethoxy)ethoxy]phenyl] acridine-9-carboxylate.

Molecular Properties

Compound Name[4-[2-(2-aminoethoxy)ethoxy]phenyl] acridine-9-carboxylate
PubChem CID21267469
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name[4-[2-(2-aminoethoxy)ethoxy]phenyl] acridine-9-carboxylate
SMILESNCCOCCOc1ccc(OC(=O)c2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C24H22N2O4/c25-13-14-28-15-16-29-17-9-11-18(12-10-17)30-24(27)23-19-5-1-3-7-21(19)26-22-8-4-2-6-20(22)23/h1-12H,13-16,25H2
InChIKeyVLUPZPHYVDCWNS-UHFFFAOYSA-N
XLogP3.96
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl) acridine-9-carboxylate
CID 609870
2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 5021618
[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl] acridine-9-carboxylate
CID 88632344
[4-[2-(2,5-dioxopyrrol-1-yl)ethylsulfanyl]phenyl] acridine-9-carboxylate
CID 59928962
4-[2-(2-aminoethoxy)ethoxy]benzamide
CID 82146872
2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4209036
2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2652516
2-phenoxyethyl 2-chloroquinoline-4-carboxylate
CID 9009317
methyl acridine-9-carboxylate
CID 21211
(4-carbamoylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 75401713
phenyl 2,7-dimethoxyacridine-9-carboxylate
CID 19364944
3-(4-fluorophenoxy)propyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 7276947

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-aminoethoxy)ethoxy]phenyl] acridine-9-carboxylate?
The IUPAC name of [4-[2-(2-aminoethoxy)ethoxy]phenyl] acridine-9-carboxylate (CID 21267469) is [4-[2-(2-aminoethoxy)ethoxy]phenyl] acridine-9-carboxylate.
What is the SMILES notation for [4-[2-(2-aminoethoxy)ethoxy]phenyl] acridine-9-carboxylate?
The canonical SMILES for [4-[2-(2-aminoethoxy)ethoxy]phenyl] acridine-9-carboxylate is NCCOCCOc1ccc(OC(=O)c2c3ccccc3nc3ccccc23)cc1.
What is the InChIKey of [4-[2-(2-aminoethoxy)ethoxy]phenyl] acridine-9-carboxylate?
The InChIKey is VLUPZPHYVDCWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c25-13-14-28-15-16-29-17-9-11-18(12-10-17)30-24(27)23-19-5-1-3-7-21(19)26-22-8-4-2-6-20(22)23/h1-12H,13-16,25H2.
What are the key properties of [4-[2-(2-aminoethoxy)ethoxy]phenyl] acridine-9-carboxylate?
[4-[2-(2-aminoethoxy)ethoxy]phenyl] acridine-9-carboxylate has a molecular weight of 402.45 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-aminoethoxy)ethoxy]phenyl] acridine-9-carboxylate is sourced from PubChem (CID 21267469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).