N-[1,9-bis[2-(dimethylamino)ethylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine

C22H31N6O3- — CID 21142739

IUPACN-[1,9-bis[2-(dimethylamino)ethylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine
SMILESCOc1ccc2nc3c(N([O-])O)ccc(NCCN(C)C)c3c(NCCN(C)C)c2c1
InChIInChI=1S/C22H31N6O3/c1-26(2)12-10-23-18-8-9-19(28(29)30)22-20(18)21(24-11-13-27(3)4)16-14-15(31-5)6-7-17(16)25-22/h6-9,14,23,29H,10-13H2,1-5H3,(H,24,25)/q-1
InChIKeyOVEWCKYNABCXNU-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.04
Rot. Bonds10

About N-[1,9-bis[2-(dimethylamino)ethylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine

N-[1,9-bis[2-(dimethylamino)ethylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine (PubChem CID 21142739) has the molecular formula C22H31N6O3- and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[1,9-bis[2-(dimethylamino)ethylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-[1,9-bis[2-(dimethylamino)ethylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine
PubChem CID21142739
Molecular FormulaC22H31N6O3-
Molecular Weight427.53 g/mol
Exact Mass427.25
IUPAC NameN-[1,9-bis[2-(dimethylamino)ethylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine
SMILESCOc1ccc2nc3c(N([O-])O)ccc(NCCN(C)C)c3c(NCCN(C)C)c2c1
InChIInChI=1S/C22H31N6O3/c1-26(2)12-10-23-18-8-9-19(28(29)30)22-20(18)21(24-11-13-27(3)4)16-14-15(31-5)6-7-17(16)25-22/h6-9,14,23,29H,10-13H2,1-5H3,(H,24,25)/q-1
InChIKeyOVEWCKYNABCXNU-UHFFFAOYSA-N
XLogP3.04
TPSA99.19 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-[9-amino-1-[3-(diethylamino)propylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine
CID 21142753
1,9-bis[2-(diethylamino)ethylamino]-N-hydroxy-7-methoxyacridin-4-amine oxide
CID 21142740
N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28575908
N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 45483572
N-(1,4-dimethoxyacridin-9-yl)-N',N'-dimethylethane-1,2-diamine
CID 10019226
N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 54605075
N-(6-chloro-2-methoxyacridin-9-yl)-N'-methoxy-N'-methylethane-1,2-diamine
CID 170597932
N-hydroxy-7-methoxy-4-methyl-9-(2-propanoyloxyethylamino)acridin-1-amine oxide
CID 10156910
N-[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 162647181
2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol
CID 59242122
1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine
CID 90717674
N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82084110

Frequently Asked Questions

What is the IUPAC name of N-[1,9-bis[2-(dimethylamino)ethylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine?
The IUPAC name of N-[1,9-bis[2-(dimethylamino)ethylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine (CID 21142739) is N-[1,9-bis[2-(dimethylamino)ethylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine.
What is the SMILES notation for N-[1,9-bis[2-(dimethylamino)ethylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine?
The canonical SMILES for N-[1,9-bis[2-(dimethylamino)ethylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine is COc1ccc2nc3c(N([O-])O)ccc(NCCN(C)C)c3c(NCCN(C)C)c2c1.
What is the InChIKey of N-[1,9-bis[2-(dimethylamino)ethylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine?
The InChIKey is OVEWCKYNABCXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N6O3/c1-26(2)12-10-23-18-8-9-19(28(29)30)22-20(18)21(24-11-13-27(3)4)16-14-15(31-5)6-7-17(16)25-22/h6-9,14,23,29H,10-13H2,1-5H3,(H,24,25)/q-1.
What are the key properties of N-[1,9-bis[2-(dimethylamino)ethylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine?
N-[1,9-bis[2-(dimethylamino)ethylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine has a molecular weight of 427.53 g/mol, XLogP of 3.04, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,9-bis[2-(dimethylamino)ethylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine is sourced from PubChem (CID 21142739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).