1,9-bis[2-(diethylamino)ethylamino]-N-hydroxy-7-methoxyacridin-4-amine oxide

C26H40N6O3 — CID 21142740

IUPAC1,9-bis[2-(diethylamino)ethylamino]-N-hydroxy-7-methoxyacridin-4-amine oxide
SMILESCCN(CC)CCNc1ccc([NH+]([O-])O)c2nc3ccc(OC)cc3c(NCCN(CC)CC)c12
InChIInChI=1S/C26H40N6O3/c1-6-30(7-2)16-14-27-22-12-13-23(32(33)34)26-24(22)25(28-15-17-31(8-3)9-4)20-18-19(35-5)10-11-21(20)29-26/h10-13,18,27,32-33H,6-9,14-17H2,1-5H3,(H,28,29)
InChIKeyRTSWXEZZSZGSQV-UHFFFAOYSA-N
MW484.65 g/mol
LogP3.31
Rot. Bonds14

About 1,9-bis[2-(diethylamino)ethylamino]-N-hydroxy-7-methoxyacridin-4-amine oxide

1,9-bis[2-(diethylamino)ethylamino]-N-hydroxy-7-methoxyacridin-4-amine oxide (PubChem CID 21142740) has the molecular formula C26H40N6O3 and a molecular weight of 484.65 g/mol. Its IUPAC name is 1,9-bis[2-(diethylamino)ethylamino]-N-hydroxy-7-methoxyacridin-4-amine oxide.

Molecular Properties

Compound Name1,9-bis[2-(diethylamino)ethylamino]-N-hydroxy-7-methoxyacridin-4-amine oxide
PubChem CID21142740
Molecular FormulaC26H40N6O3
Molecular Weight484.65 g/mol
Exact Mass484.32
IUPAC Name1,9-bis[2-(diethylamino)ethylamino]-N-hydroxy-7-methoxyacridin-4-amine oxide
SMILESCCN(CC)CCNc1ccc([NH+]([O-])O)c2nc3ccc(OC)cc3c(NCCN(CC)CC)c12
InChIInChI=1S/C26H40N6O3/c1-6-30(7-2)16-14-27-22-12-13-23(32(33)34)26-24(22)25(28-15-17-31(8-3)9-4)20-18-19(35-5)10-11-21(20)29-26/h10-13,18,27,32-33H,6-9,14-17H2,1-5H3,(H,28,29)
InChIKeyRTSWXEZZSZGSQV-UHFFFAOYSA-N
XLogP3.31
TPSA100.39 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 53.31
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

N-[1,9-bis[2-(dimethylamino)ethylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine
CID 21142739
N-hydroxy-7-methoxy-4-methyl-9-(2-propanoyloxyethylamino)acridin-1-amine oxide
CID 10156910
N-[9-amino-1-[3-(diethylamino)propylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine
CID 21142753
9-(2-carboxyethylamino)-N-hydroxy-7-methoxyacridin-1-amine oxide
CID 21142831
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
CID 22709
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine
CID 15329153
N-(6-chloro-2-methoxyacridin-9-yl)-N'-methoxy-N'-methylethane-1,2-diamine
CID 170597932
9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride
CID 21122674
10-[3-(diethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 15680109
1-[2-(diethylamino)ethylamino]-7-methoxythioxanthen-9-one
CID 22915306
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-N-methylbutane-1,4-diamine
CID 71471687

Frequently Asked Questions

What is the IUPAC name of 1,9-bis[2-(diethylamino)ethylamino]-N-hydroxy-7-methoxyacridin-4-amine oxide?
The IUPAC name of 1,9-bis[2-(diethylamino)ethylamino]-N-hydroxy-7-methoxyacridin-4-amine oxide (CID 21142740) is 1,9-bis[2-(diethylamino)ethylamino]-N-hydroxy-7-methoxyacridin-4-amine oxide.
What is the SMILES notation for 1,9-bis[2-(diethylamino)ethylamino]-N-hydroxy-7-methoxyacridin-4-amine oxide?
The canonical SMILES for 1,9-bis[2-(diethylamino)ethylamino]-N-hydroxy-7-methoxyacridin-4-amine oxide is CCN(CC)CCNc1ccc([NH+]([O-])O)c2nc3ccc(OC)cc3c(NCCN(CC)CC)c12.
What is the InChIKey of 1,9-bis[2-(diethylamino)ethylamino]-N-hydroxy-7-methoxyacridin-4-amine oxide?
The InChIKey is RTSWXEZZSZGSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N6O3/c1-6-30(7-2)16-14-27-22-12-13-23(32(33)34)26-24(22)25(28-15-17-31(8-3)9-4)20-18-19(35-5)10-11-21(20)29-26/h10-13,18,27,32-33H,6-9,14-17H2,1-5H3,(H,28,29).
What are the key properties of 1,9-bis[2-(diethylamino)ethylamino]-N-hydroxy-7-methoxyacridin-4-amine oxide?
1,9-bis[2-(diethylamino)ethylamino]-N-hydroxy-7-methoxyacridin-4-amine oxide has a molecular weight of 484.65 g/mol, XLogP of 3.31, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-bis[2-(diethylamino)ethylamino]-N-hydroxy-7-methoxyacridin-4-amine oxide is sourced from PubChem (CID 21142740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).