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

C15H15N3O5 — CID 170245037

IUPAC7-ethoxy-3-N,3-N,9-N,9-N-tetrahydroxyacridine-3,9-diamine
SMILESCCOc1ccc2nc3cc(N(O)O)ccc3c(N(O)O)c2c1
InChIInChI=1S/C15H15N3O5/c1-2-23-10-4-6-13-12(8-10)15(18(21)22)11-5-3-9(17(19)20)7-14(11)16-13/h3-8,19-22H,2H2,1H3
InChIKeyCQUMYSWCGJBGTG-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.96
Rot. Bonds4

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

7-ethoxy-3-N,3-N,9-N,9-N-tetrahydroxyacridine-3,9-diamine (PubChem CID 170245037) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is 7-ethoxy-3-N,3-N,9-N,9-N-tetrahydroxyacridine-3,9-diamine.

Molecular Properties

Compound Name7-ethoxy-3-N,3-N,9-N,9-N-tetrahydroxyacridine-3,9-diamine
PubChem CID170245037
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name7-ethoxy-3-N,3-N,9-N,9-N-tetrahydroxyacridine-3,9-diamine
SMILESCCOc1ccc2nc3cc(N(O)O)ccc3c(N(O)O)c2c1
InChIInChI=1S/C15H15N3O5/c1-2-23-10-4-6-13-12(8-10)15(18(21)22)11-5-3-9(17(19)20)7-14(11)16-13/h3-8,19-22H,2H2,1H3
InChIKeyCQUMYSWCGJBGTG-UHFFFAOYSA-N
XLogP2.96
TPSA109.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

7-ethoxy-3-N,3-N,9-N,9-N-tetramethylacridine-3,9-diamine
CID 169281625
6-chloro-2-ethoxyacridin-9-amine
CID 71700026
7-ethoxy-9-N-(5-nitro-2-pyridinyl)-9-N-phenylacridine-3,9-diamine;(2S)-2-hydroxypropanoic acid
CID 18645577
6-ethoxy-4-methylquinoline-2-carboxylic acid
CID 82574771
7-ethoxy-9-N-propylacridine-3,9-diamine
CID 10685301
(6-ethoxy-2-ethylquinolin-4-yl)hydrazine
CID 62250207
2,4-dichloro-6-ethoxy-3-nitroquinoline
CID 97181878
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446
3-amino-9-ethoxy-2H-benzo[f]quinazolin-1-one
CID 135838153
1-[6-ethoxy-2-(methylcarbamoylamino)acridin-9-yl]-3-methylurea
CID 122373750
6-ethoxy-2-methylquinoline-3-carboxylic acid
CID 17039997
(6-ethoxy-4-methylquinolin-2-yl)hydrazine
CID 82017717

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-3-N,3-N,9-N,9-N-tetrahydroxyacridine-3,9-diamine?
The IUPAC name of 7-ethoxy-3-N,3-N,9-N,9-N-tetrahydroxyacridine-3,9-diamine (CID 170245037) is 7-ethoxy-3-N,3-N,9-N,9-N-tetrahydroxyacridine-3,9-diamine.
What is the SMILES notation for 7-ethoxy-3-N,3-N,9-N,9-N-tetrahydroxyacridine-3,9-diamine?
The canonical SMILES for 7-ethoxy-3-N,3-N,9-N,9-N-tetrahydroxyacridine-3,9-diamine is CCOc1ccc2nc3cc(N(O)O)ccc3c(N(O)O)c2c1.
What is the InChIKey of 7-ethoxy-3-N,3-N,9-N,9-N-tetrahydroxyacridine-3,9-diamine?
The InChIKey is CQUMYSWCGJBGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-2-23-10-4-6-13-12(8-10)15(18(21)22)11-5-3-9(17(19)20)7-14(11)16-13/h3-8,19-22H,2H2,1H3.
What are the key properties of 7-ethoxy-3-N,3-N,9-N,9-N-tetrahydroxyacridine-3,9-diamine?
7-ethoxy-3-N,3-N,9-N,9-N-tetrahydroxyacridine-3,9-diamine has a molecular weight of 317.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-3-N,3-N,9-N,9-N-tetrahydroxyacridine-3,9-diamine is sourced from PubChem (CID 170245037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).