2-[(3-amino-1,4-dioxonaphthalen-2-yl)amino]ethyl 4-morpholin-4-ylbenzoate;methoxyazanium

C24H29N4O6+ — CID 143765036

IUPAC2-[(3-amino-1,4-dioxonaphthalen-2-yl)amino]ethyl 4-morpholin-4-ylbenzoate;methoxyazanium
SMILESCO[NH3+].NC1=C(NCCOC(=O)c2ccc(N3CCOCC3)cc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H23N3O5.CH6NO/c24-19-20(22(28)18-4-2-1-3-17(18)21(19)27)25-9-12-31-23(29)15-5-7-16(8-6-15)26-10-13-30-14-11-26;1-3-2/h1-8,25H,9-14,24H2;1-2H3/q;+1
InChIKeyYGDUELVUYSGFCC-UHFFFAOYSA-N
MW469.52 g/mol
LogP0.31
Rot. Bonds6

About 2-[(3-amino-1,4-dioxonaphthalen-2-yl)amino]ethyl 4-morpholin-4-ylbenzoate;methoxyazanium

2-[(3-amino-1,4-dioxonaphthalen-2-yl)amino]ethyl 4-morpholin-4-ylbenzoate;methoxyazanium (PubChem CID 143765036) has the molecular formula C24H29N4O6+ and a molecular weight of 469.52 g/mol. Its IUPAC name is 2-[(3-amino-1,4-dioxonaphthalen-2-yl)amino]ethyl 4-morpholin-4-ylbenzoate;methoxyazanium.

Molecular Properties

Compound Name2-[(3-amino-1,4-dioxonaphthalen-2-yl)amino]ethyl 4-morpholin-4-ylbenzoate;methoxyazanium
PubChem CID143765036
Molecular FormulaC24H29N4O6+
Molecular Weight469.52 g/mol
Exact Mass469.21
IUPAC Name2-[(3-amino-1,4-dioxonaphthalen-2-yl)amino]ethyl 4-morpholin-4-ylbenzoate;methoxyazanium
SMILESCO[NH3+].NC1=C(NCCOC(=O)c2ccc(N3CCOCC3)cc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H23N3O5.CH6NO/c24-19-20(22(28)18-4-2-1-3-17(18)21(19)27)25-9-12-31-23(29)15-5-7-16(8-6-15)26-10-13-30-14-11-26;1-3-2/h1-8,25H,9-14,24H2;1-2H3/q;+1
InChIKeyYGDUELVUYSGFCC-UHFFFAOYSA-N
XLogP0.31
TPSA147.83 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(3-amino-1,4-dioxonaphthalen-2-yl)amino]ethyl 4-morpholin-4-ylbenzoate;methoxyazanium with MolForge

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Related Compounds

2-amino-3-[3-[4-(4-methylphenyl)piperazin-1-yl]propylamino]naphthalene-1,4-dione
CID 143764711
[(3-amino-1,4-dioxonaphthalen-2-yl)-[2-[4-(4-methoxycarbonylphenyl)piperazin-1-yl]ethyl]amino]-hydroxyazanium
CID 143765015
2-[[4-morpholin-4-yl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]ethyl benzoate
CID 110178173
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781225
2-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]isoindole-1,3-dione
CID 54215076
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7969375
2-amino-5-methoxy-3-(2-methoxyethyl)-2-methyl-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 19879408
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
methyl (E)-3-(4-morpholin-4-ylphenyl)but-2-enoate
CID 58155389
N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide
CID 110474046
2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione
CID 14692055
methyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate
CID 175443444

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,4-dioxonaphthalen-2-yl)amino]ethyl 4-morpholin-4-ylbenzoate;methoxyazanium?
The IUPAC name of 2-[(3-amino-1,4-dioxonaphthalen-2-yl)amino]ethyl 4-morpholin-4-ylbenzoate;methoxyazanium (CID 143765036) is 2-[(3-amino-1,4-dioxonaphthalen-2-yl)amino]ethyl 4-morpholin-4-ylbenzoate;methoxyazanium.
What is the SMILES notation for 2-[(3-amino-1,4-dioxonaphthalen-2-yl)amino]ethyl 4-morpholin-4-ylbenzoate;methoxyazanium?
The canonical SMILES for 2-[(3-amino-1,4-dioxonaphthalen-2-yl)amino]ethyl 4-morpholin-4-ylbenzoate;methoxyazanium is CO[NH3+].NC1=C(NCCOC(=O)c2ccc(N3CCOCC3)cc2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(3-amino-1,4-dioxonaphthalen-2-yl)amino]ethyl 4-morpholin-4-ylbenzoate;methoxyazanium?
The InChIKey is YGDUELVUYSGFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5.CH6NO/c24-19-20(22(28)18-4-2-1-3-17(18)21(19)27)25-9-12-31-23(29)15-5-7-16(8-6-15)26-10-13-30-14-11-26;1-3-2/h1-8,25H,9-14,24H2;1-2H3/q;+1.
What are the key properties of 2-[(3-amino-1,4-dioxonaphthalen-2-yl)amino]ethyl 4-morpholin-4-ylbenzoate;methoxyazanium?
2-[(3-amino-1,4-dioxonaphthalen-2-yl)amino]ethyl 4-morpholin-4-ylbenzoate;methoxyazanium has a molecular weight of 469.52 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,4-dioxonaphthalen-2-yl)amino]ethyl 4-morpholin-4-ylbenzoate;methoxyazanium is sourced from PubChem (CID 143765036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).