7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid

C18H21N3O4 — CID 15789

IUPAC7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1
InChIInChI=1S/C15H15N3O.C3H6O3/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13;1-2(4)3(5)6/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6)
InChIKeyIYLLULUTZPKQBW-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.40
Rot. Bonds3

About 7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid

7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid (PubChem CID 15789) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid.

Molecular Properties

Compound Name7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid
PubChem CID15789
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1
InChIInChI=1S/C15H15N3O.C3H6O3/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13;1-2(4)3(5)6/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6)
InChIKeyIYLLULUTZPKQBW-UHFFFAOYSA-N
XLogP2.40
TPSA131.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid?
The IUPAC name of 7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid (CID 15789) is 7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid.
What is the SMILES notation for 7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid?
The canonical SMILES for 7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid is CC(O)C(=O)O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1.
What is the InChIKey of 7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid?
The InChIKey is IYLLULUTZPKQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O.C3H6O3/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13;1-2(4)3(5)6/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6).
What are the key properties of 7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid?
7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid has a molecular weight of 343.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid is sourced from PubChem (CID 15789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).