10-ethyl-1,3-dimethoxy-6-(4-methylpiperazin-1-yl)-7-nitroacridin-9-one

C22H26N4O5 — CID 10526453

IUPAC10-ethyl-1,3-dimethoxy-6-(4-methylpiperazin-1-yl)-7-nitroacridin-9-one
SMILESCCn1c2cc(N3CCN(C)CC3)c([N+](=O)[O-])cc2c(=O)c2c(OC)cc(OC)cc21
InChIInChI=1S/C22H26N4O5/c1-5-25-16-13-17(24-8-6-23(2)7-9-24)18(26(28)29)12-15(16)22(27)21-19(25)10-14(30-3)11-20(21)31-4/h10-13H,5-9H2,1-4H3
InChIKeyMFIUMNAXUDMXST-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.85
Rot. Bonds5

About 10-ethyl-1,3-dimethoxy-6-(4-methylpiperazin-1-yl)-7-nitroacridin-9-one

10-ethyl-1,3-dimethoxy-6-(4-methylpiperazin-1-yl)-7-nitroacridin-9-one (PubChem CID 10526453) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is 10-ethyl-1,3-dimethoxy-6-(4-methylpiperazin-1-yl)-7-nitroacridin-9-one.

Molecular Properties

Compound Name10-ethyl-1,3-dimethoxy-6-(4-methylpiperazin-1-yl)-7-nitroacridin-9-one
PubChem CID10526453
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name10-ethyl-1,3-dimethoxy-6-(4-methylpiperazin-1-yl)-7-nitroacridin-9-one
SMILESCCn1c2cc(N3CCN(C)CC3)c([N+](=O)[O-])cc2c(=O)c2c(OC)cc(OC)cc21
InChIInChI=1S/C22H26N4O5/c1-5-25-16-13-17(24-8-6-23(2)7-9-24)18(26(28)29)12-15(16)22(27)21-19(25)10-14(30-3)11-20(21)31-4/h10-13H,5-9H2,1-4H3
InChIKeyMFIUMNAXUDMXST-UHFFFAOYSA-N
XLogP2.85
TPSA90.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-(4,5-dimethoxy-2-nitrophenyl)pyrrolidine
CID 616606
1,3-diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one
CID 2957371
5-ethyl-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile;1-methylpiperazine
CID 158905762
1-(2-ethyl-3-methoxy-4-nitrophenyl)-4-methylpiperazine
CID 155572522
7-amino-1,3,10-trimethoxy-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acridin-9-one
CID 71470873
ethyl 1-cyclopropyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-6-nitro-4-oxoquinoline-3-carboxylate
CID 11237216
1-(4-fluoro-2-nitro-5-pyrrolidin-1-ylphenyl)-4-methylpiperazine
CID 2929478
4-(4-methylpiperazin-1-yl)-5-nitrobenzene-1,2-dicarbonitrile
CID 4285583
1-[1-(2-ethyl-5-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine
CID 163617744
5-(4-ethylsulfonylpiperazin-1-yl)-1,3-dimethyl-6-nitrobenzimidazol-2-one
CID 3721186
1-methyl-4-[3-(4-methylpiperazin-1-yl)-4-nitrophenyl]piperazine
CID 2888142
1-methyl-4-(4-methylsulfonyl-2-nitrophenyl)piperazine
CID 2894867

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-1,3-dimethoxy-6-(4-methylpiperazin-1-yl)-7-nitroacridin-9-one?
The IUPAC name of 10-ethyl-1,3-dimethoxy-6-(4-methylpiperazin-1-yl)-7-nitroacridin-9-one (CID 10526453) is 10-ethyl-1,3-dimethoxy-6-(4-methylpiperazin-1-yl)-7-nitroacridin-9-one.
What is the SMILES notation for 10-ethyl-1,3-dimethoxy-6-(4-methylpiperazin-1-yl)-7-nitroacridin-9-one?
The canonical SMILES for 10-ethyl-1,3-dimethoxy-6-(4-methylpiperazin-1-yl)-7-nitroacridin-9-one is CCn1c2cc(N3CCN(C)CC3)c([N+](=O)[O-])cc2c(=O)c2c(OC)cc(OC)cc21.
What is the InChIKey of 10-ethyl-1,3-dimethoxy-6-(4-methylpiperazin-1-yl)-7-nitroacridin-9-one?
The InChIKey is MFIUMNAXUDMXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-5-25-16-13-17(24-8-6-23(2)7-9-24)18(26(28)29)12-15(16)22(27)21-19(25)10-14(30-3)11-20(21)31-4/h10-13H,5-9H2,1-4H3.
What are the key properties of 10-ethyl-1,3-dimethoxy-6-(4-methylpiperazin-1-yl)-7-nitroacridin-9-one?
10-ethyl-1,3-dimethoxy-6-(4-methylpiperazin-1-yl)-7-nitroacridin-9-one has a molecular weight of 426.47 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-1,3-dimethoxy-6-(4-methylpiperazin-1-yl)-7-nitroacridin-9-one is sourced from PubChem (CID 10526453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).