N-[9-amino-1-[3-(diethylamino)propylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine

C21H28N5O3- — CID 21142753

IUPACN-[9-amino-1-[3-(diethylamino)propylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine
SMILESCCN(CC)CCCNc1ccc(N([O-])O)c2nc3ccc(OC)cc3c(N)c12
InChIInChI=1S/C21H28N5O3/c1-4-25(5-2)12-6-11-23-17-9-10-18(26(27)28)21-19(17)20(22)15-13-14(29-3)7-8-16(15)24-21/h7-10,13,23,27H,4-6,11-12H2,1-3H3,(H2,22,24)/q-1
InChIKeyFJIOKNRSLJGWSK-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.82
Rot. Bonds9

About N-[9-amino-1-[3-(diethylamino)propylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine

N-[9-amino-1-[3-(diethylamino)propylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine (PubChem CID 21142753) has the molecular formula C21H28N5O3- and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[9-amino-1-[3-(diethylamino)propylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-[9-amino-1-[3-(diethylamino)propylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine
PubChem CID21142753
Molecular FormulaC21H28N5O3-
Molecular Weight398.49 g/mol
Exact Mass398.22
IUPAC NameN-[9-amino-1-[3-(diethylamino)propylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine
SMILESCCN(CC)CCCNc1ccc(N([O-])O)c2nc3ccc(OC)cc3c(N)c12
InChIInChI=1S/C21H28N5O3/c1-4-25(5-2)12-6-11-23-17-9-10-18(26(27)28)21-19(17)20(22)15-13-14(29-3)7-8-16(15)24-21/h7-10,13,23,27H,4-6,11-12H2,1-3H3,(H2,22,24)/q-1
InChIKeyFJIOKNRSLJGWSK-UHFFFAOYSA-N
XLogP3.82
TPSA109.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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
1,9-bis[2-(diethylamino)ethylamino]-N-hydroxy-7-methoxyacridin-4-amine oxide
CID 21142740
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
N-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 169487817
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-(2,6-dimethoxyquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine;dihydroiodide
CID 131880882
N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine
CID 12529748
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-N-methylbutane-1,4-diamine
CID 71471687
N',N'-diethyl-N-(6-methoxy-4-methylquinolin-8-yl)hexane-1,6-diamine;4-methylbenzenesulfonic acid
CID 24769161
N',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine
CID 21003124
4-methoxy-N-[2-[(6-methoxy-2-methylquinolin-4-yl)amino]ethyl]-N-[3-[(6-methoxy-2-methylquinolin-4-yl)amino]propyl]benzenesulfonamide
CID 58807114

Frequently Asked Questions

What is the IUPAC name of N-[9-amino-1-[3-(diethylamino)propylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine?
The IUPAC name of N-[9-amino-1-[3-(diethylamino)propylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine (CID 21142753) is N-[9-amino-1-[3-(diethylamino)propylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine.
What is the SMILES notation for N-[9-amino-1-[3-(diethylamino)propylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine?
The canonical SMILES for N-[9-amino-1-[3-(diethylamino)propylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine is CCN(CC)CCCNc1ccc(N([O-])O)c2nc3ccc(OC)cc3c(N)c12.
What is the InChIKey of N-[9-amino-1-[3-(diethylamino)propylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine?
The InChIKey is FJIOKNRSLJGWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N5O3/c1-4-25(5-2)12-6-11-23-17-9-10-18(26(27)28)21-19(17)20(22)15-13-14(29-3)7-8-16(15)24-21/h7-10,13,23,27H,4-6,11-12H2,1-3H3,(H2,22,24)/q-1.
What are the key properties of N-[9-amino-1-[3-(diethylamino)propylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine?
N-[9-amino-1-[3-(diethylamino)propylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine has a molecular weight of 398.49 g/mol, XLogP of 3.82, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-amino-1-[3-(diethylamino)propylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine is sourced from PubChem (CID 21142753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).