N-hydroxy-7-methoxy-4-methyl-9-(2-propanoyloxyethylamino)acridin-1-amine oxide

C20H23N3O5 — CID 10156910

IUPACN-hydroxy-7-methoxy-4-methyl-9-(2-propanoyloxyethylamino)acridin-1-amine oxide
SMILESCCC(=O)OCCNc1c2cc(OC)ccc2nc2c(C)ccc([NH+]([O-])O)c12
InChIInChI=1S/C20H23N3O5/c1-4-17(24)28-10-9-21-20-14-11-13(27-3)6-7-15(14)22-19-12(2)5-8-16(18(19)20)23(25)26/h5-8,11,23,25H,4,9-10H2,1-3H3,(H,21,22)
InChIKeyPAEZFGMNOQAQTC-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.47
Rot. Bonds7

About N-hydroxy-7-methoxy-4-methyl-9-(2-propanoyloxyethylamino)acridin-1-amine oxide

N-hydroxy-7-methoxy-4-methyl-9-(2-propanoyloxyethylamino)acridin-1-amine oxide (PubChem CID 10156910) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-hydroxy-7-methoxy-4-methyl-9-(2-propanoyloxyethylamino)acridin-1-amine oxide.

Molecular Properties

Compound NameN-hydroxy-7-methoxy-4-methyl-9-(2-propanoyloxyethylamino)acridin-1-amine oxide
PubChem CID10156910
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-hydroxy-7-methoxy-4-methyl-9-(2-propanoyloxyethylamino)acridin-1-amine oxide
SMILESCCC(=O)OCCNc1c2cc(OC)ccc2nc2c(C)ccc([NH+]([O-])O)c12
InChIInChI=1S/C20H23N3O5/c1-4-17(24)28-10-9-21-20-14-11-13(27-3)6-7-15(14)22-19-12(2)5-8-16(18(19)20)23(25)26/h5-8,11,23,25H,4,9-10H2,1-3H3,(H,21,22)
InChIKeyPAEZFGMNOQAQTC-UHFFFAOYSA-N
XLogP2.47
TPSA108.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

1,9-bis[2-(diethylamino)ethylamino]-N-hydroxy-7-methoxyacridin-4-amine oxide
CID 21142740
9-(2-carboxyethylamino)-N-hydroxy-7-methoxyacridin-1-amine oxide
CID 21142831
9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride
CID 21122674
3-[(4-methyl-1-nitroacridin-9-yl)amino]propyl propanoate;hydrochloride
CID 18505074
N-[1,9-bis[2-(dimethylamino)ethylamino]-7-methoxyacridin-4-yl]-N-oxidohydroxylamine
CID 21142739
N-hydroxy-4-methoxy-2-methylbenzeneamine oxide
CID 163166286
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
ethyl N-[2-[bis(ethoxycarbonyl)amino]ethyl]-N-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethylamino]-2-oxoethyl]carbamate
CID 11319525
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
CID 511167
6-chloro-2-methoxy-N-octylacridin-9-amine
CID 44537218
methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82667452

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-methoxy-4-methyl-9-(2-propanoyloxyethylamino)acridin-1-amine oxide?
The IUPAC name of N-hydroxy-7-methoxy-4-methyl-9-(2-propanoyloxyethylamino)acridin-1-amine oxide (CID 10156910) is N-hydroxy-7-methoxy-4-methyl-9-(2-propanoyloxyethylamino)acridin-1-amine oxide.
What is the SMILES notation for N-hydroxy-7-methoxy-4-methyl-9-(2-propanoyloxyethylamino)acridin-1-amine oxide?
The canonical SMILES for N-hydroxy-7-methoxy-4-methyl-9-(2-propanoyloxyethylamino)acridin-1-amine oxide is CCC(=O)OCCNc1c2cc(OC)ccc2nc2c(C)ccc([NH+]([O-])O)c12.
What is the InChIKey of N-hydroxy-7-methoxy-4-methyl-9-(2-propanoyloxyethylamino)acridin-1-amine oxide?
The InChIKey is PAEZFGMNOQAQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-4-17(24)28-10-9-21-20-14-11-13(27-3)6-7-15(14)22-19-12(2)5-8-16(18(19)20)23(25)26/h5-8,11,23,25H,4,9-10H2,1-3H3,(H,21,22).
What are the key properties of N-hydroxy-7-methoxy-4-methyl-9-(2-propanoyloxyethylamino)acridin-1-amine oxide?
N-hydroxy-7-methoxy-4-methyl-9-(2-propanoyloxyethylamino)acridin-1-amine oxide has a molecular weight of 385.42 g/mol, XLogP of 2.47, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-methoxy-4-methyl-9-(2-propanoyloxyethylamino)acridin-1-amine oxide is sourced from PubChem (CID 10156910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).