7-ethoxy-3-N,3-N,9-N,9-N-tetramethylacridine-3,9-diamine

C19H23N3O — CID 169281625

IUPAC7-ethoxy-3-N,3-N,9-N,9-N-tetramethylacridine-3,9-diamine
SMILESCCOc1ccc2nc3cc(N(C)C)ccc3c(N(C)C)c2c1
InChIInChI=1S/C19H23N3O/c1-6-23-14-8-10-17-16(12-14)19(22(4)5)15-9-7-13(21(2)3)11-18(15)20-17/h7-12H,6H2,1-5H3
InChIKeyBRHLHCKUJVYMAB-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.92
Rot. Bonds4

About 7-ethoxy-3-N,3-N,9-N,9-N-tetramethylacridine-3,9-diamine

7-ethoxy-3-N,3-N,9-N,9-N-tetramethylacridine-3,9-diamine (PubChem CID 169281625) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 7-ethoxy-3-N,3-N,9-N,9-N-tetramethylacridine-3,9-diamine.

Molecular Properties

Compound Name7-ethoxy-3-N,3-N,9-N,9-N-tetramethylacridine-3,9-diamine
PubChem CID169281625
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name7-ethoxy-3-N,3-N,9-N,9-N-tetramethylacridine-3,9-diamine
SMILESCCOc1ccc2nc3cc(N(C)C)ccc3c(N(C)C)c2c1
InChIInChI=1S/C19H23N3O/c1-6-23-14-8-10-17-16(12-14)19(22(4)5)15-9-7-13(21(2)3)11-18(15)20-17/h7-12H,6H2,1-5H3
InChIKeyBRHLHCKUJVYMAB-UHFFFAOYSA-N
XLogP3.92
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,3-N,9-N,9-N-tetramethylacridine-3,9-diamine?
The IUPAC name of 7-ethoxy-3-N,3-N,9-N,9-N-tetramethylacridine-3,9-diamine (CID 169281625) is 7-ethoxy-3-N,3-N,9-N,9-N-tetramethylacridine-3,9-diamine.
What is the SMILES notation for 7-ethoxy-3-N,3-N,9-N,9-N-tetramethylacridine-3,9-diamine?
The canonical SMILES for 7-ethoxy-3-N,3-N,9-N,9-N-tetramethylacridine-3,9-diamine is CCOc1ccc2nc3cc(N(C)C)ccc3c(N(C)C)c2c1.
What is the InChIKey of 7-ethoxy-3-N,3-N,9-N,9-N-tetramethylacridine-3,9-diamine?
The InChIKey is BRHLHCKUJVYMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-6-23-14-8-10-17-16(12-14)19(22(4)5)15-9-7-13(21(2)3)11-18(15)20-17/h7-12H,6H2,1-5H3.
What are the key properties of 7-ethoxy-3-N,3-N,9-N,9-N-tetramethylacridine-3,9-diamine?
7-ethoxy-3-N,3-N,9-N,9-N-tetramethylacridine-3,9-diamine has a molecular weight of 309.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-3-N,3-N,9-N,9-N-tetramethylacridine-3,9-diamine is sourced from PubChem (CID 169281625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).