7-ethoxy-3-N-(furan-2-ylmethyl)acridine-3,9-diamine

C20H19N3O2 — CID 3135086

IUPAC7-ethoxy-3-N-(furan-2-ylmethyl)acridine-3,9-diamine
SMILESCCOc1ccc2nc3cc(NCc4ccco4)ccc3c(N)c2c1
InChIInChI=1S/C20H19N3O2/c1-2-24-14-6-8-18-17(11-14)20(21)16-7-5-13(10-19(16)23-18)22-12-15-4-3-9-25-15/h3-11,22H,2,12H2,1H3,(H2,21,23)
InChIKeyPGNWQNJXXLPZEL-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.57
Rot. Bonds5

About 7-ethoxy-3-N-(furan-2-ylmethyl)acridine-3,9-diamine

7-ethoxy-3-N-(furan-2-ylmethyl)acridine-3,9-diamine (PubChem CID 3135086) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 7-ethoxy-3-N-(furan-2-ylmethyl)acridine-3,9-diamine.

Molecular Properties

Compound Name7-ethoxy-3-N-(furan-2-ylmethyl)acridine-3,9-diamine
PubChem CID3135086
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name7-ethoxy-3-N-(furan-2-ylmethyl)acridine-3,9-diamine
SMILESCCOc1ccc2nc3cc(NCc4ccco4)ccc3c(N)c2c1
InChIInChI=1S/C20H19N3O2/c1-2-24-14-6-8-18-17(11-14)20(21)16-7-5-13(10-19(16)23-18)22-12-15-4-3-9-25-15/h3-11,22H,2,12H2,1H3,(H2,21,23)
InChIKeyPGNWQNJXXLPZEL-UHFFFAOYSA-N
XLogP4.57
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-3-N-(furan-2-ylmethyl)acridine-3,9-diamine?
The IUPAC name of 7-ethoxy-3-N-(furan-2-ylmethyl)acridine-3,9-diamine (CID 3135086) is 7-ethoxy-3-N-(furan-2-ylmethyl)acridine-3,9-diamine.
What is the SMILES notation for 7-ethoxy-3-N-(furan-2-ylmethyl)acridine-3,9-diamine?
The canonical SMILES for 7-ethoxy-3-N-(furan-2-ylmethyl)acridine-3,9-diamine is CCOc1ccc2nc3cc(NCc4ccco4)ccc3c(N)c2c1.
What is the InChIKey of 7-ethoxy-3-N-(furan-2-ylmethyl)acridine-3,9-diamine?
The InChIKey is PGNWQNJXXLPZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-2-24-14-6-8-18-17(11-14)20(21)16-7-5-13(10-19(16)23-18)22-12-15-4-3-9-25-15/h3-11,22H,2,12H2,1H3,(H2,21,23).
What are the key properties of 7-ethoxy-3-N-(furan-2-ylmethyl)acridine-3,9-diamine?
7-ethoxy-3-N-(furan-2-ylmethyl)acridine-3,9-diamine has a molecular weight of 333.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-3-N-(furan-2-ylmethyl)acridine-3,9-diamine is sourced from PubChem (CID 3135086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).