1,4,5,8-tetraamino-2,7-bis(2-ethoxyphenoxy)anthracene-9,10-dione

C30H28N4O6 — CID 71318984

IUPAC1,4,5,8-tetraamino-2,7-bis(2-ethoxyphenoxy)anthracene-9,10-dione
SMILESCCOc1ccccc1Oc1cc(N)c2c(c1N)C(=O)c1c(N)c(Oc3ccccc3OCC)cc(N)c1C2=O
InChIInChI=1S/C30H28N4O6/c1-3-37-17-9-5-7-11-19(17)39-21-13-15(31)23-25(27(21)33)30(36)26-24(29(23)35)16(32)14-22(28(26)34)40-20-12-8-6-10-18(20)38-4-2/h5-14H,3-4,31-34H2,1-2H3
InChIKeyNJDMHGFKCYZBQX-UHFFFAOYSA-N
MW540.58 g/mol
LogP5.17
Rot. Bonds8

About 1,4,5,8-tetraamino-2,7-bis(2-ethoxyphenoxy)anthracene-9,10-dione

1,4,5,8-tetraamino-2,7-bis(2-ethoxyphenoxy)anthracene-9,10-dione (PubChem CID 71318984) has the molecular formula C30H28N4O6 and a molecular weight of 540.58 g/mol. Its IUPAC name is 1,4,5,8-tetraamino-2,7-bis(2-ethoxyphenoxy)anthracene-9,10-dione.

Molecular Properties

Compound Name1,4,5,8-tetraamino-2,7-bis(2-ethoxyphenoxy)anthracene-9,10-dione
PubChem CID71318984
Molecular FormulaC30H28N4O6
Molecular Weight540.58 g/mol
Exact Mass540.20
IUPAC Name1,4,5,8-tetraamino-2,7-bis(2-ethoxyphenoxy)anthracene-9,10-dione
SMILESCCOc1ccccc1Oc1cc(N)c2c(c1N)C(=O)c1c(N)c(Oc3ccccc3OCC)cc(N)c1C2=O
InChIInChI=1S/C30H28N4O6/c1-3-37-17-9-5-7-11-19(17)39-21-13-15(31)23-25(27(21)33)30(36)26-24(29(23)35)16(32)14-22(28(26)34)40-20-12-8-6-10-18(20)38-4-2/h5-14H,3-4,31-34H2,1-2H3
InChIKeyNJDMHGFKCYZBQX-UHFFFAOYSA-N
XLogP5.17
TPSA175.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.58
LogP ≤ 55.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1,4,5,8-tetraamino-2,7-bis(2-ethoxyphenoxy)anthracene-9,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4,5,8-tetraamino-2,7-bis(4-ethoxyphenoxy)anthracene-9,10-dione
CID 71318986
1,4,5,8-tetraamino-2,7-bis(3-phenylpropoxy)anthracene-9,10-dione
CID 71319004
1,4,5,8-tetraamino-2,7-bis(4-ethylphenoxy)anthracene-9,10-dione
CID 71318972
1,4,5,8-tetraamino-2,6-bis(3-phenoxyphenoxy)anthracene-9,10-dione
CID 71318959
1,4,5,8-tetraamino-2,7-bis(3-pentylphenoxy)anthracene-9,10-dione
CID 71318976
2-(2-ethoxyphenoxy)-4-methylaniline
CID 26189556
1,4,5,8-tetraamino-2-bromo-7-(4-ethylphenoxy)anthracene-9,10-dione
CID 71319017
1,4,5,8-tetraamino-2,7-bis(4-chlorophenoxy)anthracene-9,10-dione
CID 71318965
4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline
CID 107259770
3-(2-ethoxyphenoxy)-5-methoxyaniline
CID 80748914
2-ethoxyaniline;molecular hydrogen
CID 144877970
1,4-diamino-2-(3-hydroxyphenoxy)anthracene-9,10-dione
CID 19089714

Frequently Asked Questions

What is the IUPAC name of 1,4,5,8-tetraamino-2,7-bis(2-ethoxyphenoxy)anthracene-9,10-dione?
The IUPAC name of 1,4,5,8-tetraamino-2,7-bis(2-ethoxyphenoxy)anthracene-9,10-dione (CID 71318984) is 1,4,5,8-tetraamino-2,7-bis(2-ethoxyphenoxy)anthracene-9,10-dione.
What is the SMILES notation for 1,4,5,8-tetraamino-2,7-bis(2-ethoxyphenoxy)anthracene-9,10-dione?
The canonical SMILES for 1,4,5,8-tetraamino-2,7-bis(2-ethoxyphenoxy)anthracene-9,10-dione is CCOc1ccccc1Oc1cc(N)c2c(c1N)C(=O)c1c(N)c(Oc3ccccc3OCC)cc(N)c1C2=O.
What is the InChIKey of 1,4,5,8-tetraamino-2,7-bis(2-ethoxyphenoxy)anthracene-9,10-dione?
The InChIKey is NJDMHGFKCYZBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O6/c1-3-37-17-9-5-7-11-19(17)39-21-13-15(31)23-25(27(21)33)30(36)26-24(29(23)35)16(32)14-22(28(26)34)40-20-12-8-6-10-18(20)38-4-2/h5-14H,3-4,31-34H2,1-2H3.
What are the key properties of 1,4,5,8-tetraamino-2,7-bis(2-ethoxyphenoxy)anthracene-9,10-dione?
1,4,5,8-tetraamino-2,7-bis(2-ethoxyphenoxy)anthracene-9,10-dione has a molecular weight of 540.58 g/mol, XLogP of 5.17, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,8-tetraamino-2,7-bis(2-ethoxyphenoxy)anthracene-9,10-dione is sourced from PubChem (CID 71318984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).