9-(2-carboxyethylamino)-N-hydroxy-7-methoxyacridin-1-amine oxide

C17H17N3O5 — CID 21142831

IUPAC9-(2-carboxyethylamino)-N-hydroxy-7-methoxyacridin-1-amine oxide
SMILESCOc1ccc2nc3cccc([NH+]([O-])O)c3c(NCCC(=O)O)c2c1
InChIInChI=1S/C17H17N3O5/c1-25-10-5-6-12-11(9-10)17(18-8-7-15(21)22)16-13(19-12)3-2-4-14(16)20(23)24/h2-6,9,20,23H,7-8H2,1H3,(H,18,19)(H,21,22)
InChIKeyBZXNTLQTVQIAFR-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.69
Rot. Bonds6

About 9-(2-carboxyethylamino)-N-hydroxy-7-methoxyacridin-1-amine oxide

9-(2-carboxyethylamino)-N-hydroxy-7-methoxyacridin-1-amine oxide (PubChem CID 21142831) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 9-(2-carboxyethylamino)-N-hydroxy-7-methoxyacridin-1-amine oxide.

Molecular Properties

Compound Name9-(2-carboxyethylamino)-N-hydroxy-7-methoxyacridin-1-amine oxide
PubChem CID21142831
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name9-(2-carboxyethylamino)-N-hydroxy-7-methoxyacridin-1-amine oxide
SMILESCOc1ccc2nc3cccc([NH+]([O-])O)c3c(NCCC(=O)O)c2c1
InChIInChI=1S/C17H17N3O5/c1-25-10-5-6-12-11(9-10)17(18-8-7-15(21)22)16-13(19-12)3-2-4-14(16)20(23)24/h2-6,9,20,23H,7-8H2,1H3,(H,18,19)(H,21,22)
InChIKeyBZXNTLQTVQIAFR-UHFFFAOYSA-N
XLogP1.69
TPSA119.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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'}

Analyze 9-(2-carboxyethylamino)-N-hydroxy-7-methoxyacridin-1-amine oxide 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

N-hydroxy-7-methoxy-4-methyl-9-(2-propanoyloxyethylamino)acridin-1-amine oxide
CID 10156910
1,9-bis[2-(diethylamino)ethylamino]-N-hydroxy-7-methoxyacridin-4-amine oxide
CID 21142740
N-hydroxy-9-(3-morpholin-4-ylpropylamino)acridin-1-amine oxide;methanesulfonic acid
CID 21143004
N,N'-bis(3-methoxyacridin-9-yl)butane-1,4-diamine;hydrochloride
CID 54598620
6-chloro-9-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethylamino]acridin-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 21198481
N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
N-(5-aminopentyl)-12-[(6-chloro-2-methoxyacridin-9-yl)amino]dodecanamide
CID 11513031
N-hydroxy-7-methoxy-9-[4-(pyrimidin-2-ylsulfamoyl)anilino]acridin-3-amine oxide
CID 21143751
phenyl 2,7-dimethoxyacridine-9-carboxylate
CID 19364944
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid
CID 82449826
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
CID 511167

Frequently Asked Questions

What is the IUPAC name of 9-(2-carboxyethylamino)-N-hydroxy-7-methoxyacridin-1-amine oxide?
The IUPAC name of 9-(2-carboxyethylamino)-N-hydroxy-7-methoxyacridin-1-amine oxide (CID 21142831) is 9-(2-carboxyethylamino)-N-hydroxy-7-methoxyacridin-1-amine oxide.
What is the SMILES notation for 9-(2-carboxyethylamino)-N-hydroxy-7-methoxyacridin-1-amine oxide?
The canonical SMILES for 9-(2-carboxyethylamino)-N-hydroxy-7-methoxyacridin-1-amine oxide is COc1ccc2nc3cccc([NH+]([O-])O)c3c(NCCC(=O)O)c2c1.
What is the InChIKey of 9-(2-carboxyethylamino)-N-hydroxy-7-methoxyacridin-1-amine oxide?
The InChIKey is BZXNTLQTVQIAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-25-10-5-6-12-11(9-10)17(18-8-7-15(21)22)16-13(19-12)3-2-4-14(16)20(23)24/h2-6,9,20,23H,7-8H2,1H3,(H,18,19)(H,21,22).
What are the key properties of 9-(2-carboxyethylamino)-N-hydroxy-7-methoxyacridin-1-amine oxide?
9-(2-carboxyethylamino)-N-hydroxy-7-methoxyacridin-1-amine oxide has a molecular weight of 343.34 g/mol, XLogP of 1.69, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-carboxyethylamino)-N-hydroxy-7-methoxyacridin-1-amine oxide is sourced from PubChem (CID 21142831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).