2-(aminomethyl)-1-hydroxy-8-(2-morpholin-4-ylethoxy)anthracene-9,10-dione

C21H22N2O5 — CID 67872717

IUPAC2-(aminomethyl)-1-hydroxy-8-(2-morpholin-4-ylethoxy)anthracene-9,10-dione
SMILESNCc1ccc2c(c1O)C(=O)c1c(OCCN3CCOCC3)cccc1C2=O
InChIInChI=1S/C21H22N2O5/c22-12-13-4-5-15-18(19(13)24)21(26)17-14(20(15)25)2-1-3-16(17)28-11-8-23-6-9-27-10-7-23/h1-5,24H,6-12,22H2
InChIKeyZFUUEBIBDNAPKT-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.34
Rot. Bonds5

About 2-(aminomethyl)-1-hydroxy-8-(2-morpholin-4-ylethoxy)anthracene-9,10-dione

2-(aminomethyl)-1-hydroxy-8-(2-morpholin-4-ylethoxy)anthracene-9,10-dione (PubChem CID 67872717) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-(aminomethyl)-1-hydroxy-8-(2-morpholin-4-ylethoxy)anthracene-9,10-dione.

Molecular Properties

Compound Name2-(aminomethyl)-1-hydroxy-8-(2-morpholin-4-ylethoxy)anthracene-9,10-dione
PubChem CID67872717
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name2-(aminomethyl)-1-hydroxy-8-(2-morpholin-4-ylethoxy)anthracene-9,10-dione
SMILESNCc1ccc2c(c1O)C(=O)c1c(OCCN3CCOCC3)cccc1C2=O
InChIInChI=1S/C21H22N2O5/c22-12-13-4-5-15-18(19(13)24)21(26)17-14(20(15)25)2-1-3-16(17)28-11-8-23-6-9-27-10-7-23/h1-5,24H,6-12,22H2
InChIKeyZFUUEBIBDNAPKT-UHFFFAOYSA-N
XLogP1.34
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-5-(2-morpholin-4-ylethoxy)fluoren-9-one
CID 19594681
3,5-bis(2-morpholin-4-ylethoxy)fluoren-9-one
CID 57066277
1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70189484
5-(2-morpholin-4-ylethoxy)-2-phenoxynaphthalene-1,4-dione
CID 170670656
2-(4-fluorophenoxy)-5-(2-morpholin-4-ylethoxy)naphthalene-1,4-dione
CID 170549572
[4-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 114322345
3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
CID 91269103
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
3-[2-[3-[2-(3-carboxy-2-hydroxyphenoxy)ethyl]-1,6-dioxa-3,9-diazacycloundec-9-yl]ethoxy]-2-hydroxybenzoic acid
CID 101400473
[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]methanamine
CID 142566545
2-methyl-3-(2-morpholin-4-ylethylamino)-5-phenylmethoxynaphthalene-1,4-dione
CID 155805325
2-[2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 107713272

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-hydroxy-8-(2-morpholin-4-ylethoxy)anthracene-9,10-dione?
The IUPAC name of 2-(aminomethyl)-1-hydroxy-8-(2-morpholin-4-ylethoxy)anthracene-9,10-dione (CID 67872717) is 2-(aminomethyl)-1-hydroxy-8-(2-morpholin-4-ylethoxy)anthracene-9,10-dione.
What is the SMILES notation for 2-(aminomethyl)-1-hydroxy-8-(2-morpholin-4-ylethoxy)anthracene-9,10-dione?
The canonical SMILES for 2-(aminomethyl)-1-hydroxy-8-(2-morpholin-4-ylethoxy)anthracene-9,10-dione is NCc1ccc2c(c1O)C(=O)c1c(OCCN3CCOCC3)cccc1C2=O.
What is the InChIKey of 2-(aminomethyl)-1-hydroxy-8-(2-morpholin-4-ylethoxy)anthracene-9,10-dione?
The InChIKey is ZFUUEBIBDNAPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c22-12-13-4-5-15-18(19(13)24)21(26)17-14(20(15)25)2-1-3-16(17)28-11-8-23-6-9-27-10-7-23/h1-5,24H,6-12,22H2.
What are the key properties of 2-(aminomethyl)-1-hydroxy-8-(2-morpholin-4-ylethoxy)anthracene-9,10-dione?
2-(aminomethyl)-1-hydroxy-8-(2-morpholin-4-ylethoxy)anthracene-9,10-dione has a molecular weight of 382.42 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-hydroxy-8-(2-morpholin-4-ylethoxy)anthracene-9,10-dione is sourced from PubChem (CID 67872717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).