7-ethoxyacridine-3,9-diamine

C15H15N3O — CID 2017

💊View drug profile → ethacridine
IUPAC7-ethoxyacridine-3,9-diamine
SMILESCCOc1ccc2nc3cc(N)ccc3c(N)c2c1
InChIInChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18)
InChIKeyCIKWKGFPFXJVGW-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.95
Rot. Bonds2

About 7-ethoxyacridine-3,9-diamine

7-ethoxyacridine-3,9-diamine (PubChem CID 2017) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 7-ethoxyacridine-3,9-diamine.

Molecular Properties

Compound Name7-ethoxyacridine-3,9-diamine
PubChem CID2017
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name7-ethoxyacridine-3,9-diamine
SMILESCCOc1ccc2nc3cc(N)ccc3c(N)c2c1
InChIInChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18)
InChIKeyCIKWKGFPFXJVGW-UHFFFAOYSA-N
XLogP2.95
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethacridine Lactate
CID 15789
6-Chloro-2-methoxy-9-acridinamine
CID 19080
Propanoic acid, 2-hydroxy-, compd. with 7-ethoxy-3,9-acridinediamine, hydrate (1:1:1)
CID 165457
4-Amino-6-methoxy-2-(trifluoromethyl)-3-quinolinecarbonitrile
CID 824060
4-Methoxy-2-Phenylquinoline
CID 826247
7-Methoxytacrine
CID 119053
Acridine, 9-amino-2-ethoxy-6-nitro-
CID 30102
9-Amino-2-methoxyacridine
CID 18867
Acridine, 9-(p-anisidino)-
CID 43640
9-Methoxyacridine
CID 99383
2-Acridinol, 5,6,7,8-tetrahydro-9-amino-, dihydrate
CID 3077884
9-Amino-2-hydroxyacridine
CID 23520

Frequently Asked Questions

What is the IUPAC name of 7-ethoxyacridine-3,9-diamine?
The IUPAC name of 7-ethoxyacridine-3,9-diamine (CID 2017) is 7-ethoxyacridine-3,9-diamine.
What is the SMILES notation for 7-ethoxyacridine-3,9-diamine?
The canonical SMILES for 7-ethoxyacridine-3,9-diamine is CCOc1ccc2nc3cc(N)ccc3c(N)c2c1.
What is the InChIKey of 7-ethoxyacridine-3,9-diamine?
The InChIKey is CIKWKGFPFXJVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18).
What are the key properties of 7-ethoxyacridine-3,9-diamine?
7-ethoxyacridine-3,9-diamine has a molecular weight of 253.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxyacridine-3,9-diamine is sourced from PubChem (CID 2017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).