10-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acridin-9-one

C25H22N4O4 — CID 38505423

IUPAC10-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acridin-9-one
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C25H22N4O4/c30-24(27-15-13-26(14-16-27)22-11-5-6-12-23(22)29(32)33)17-28-20-9-3-1-7-18(20)25(31)19-8-2-4-10-21(19)28/h1-12H,13-17H2
InChIKeyWDMARJHQSXTPEF-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.41
Rot. Bonds4

About 10-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acridin-9-one

10-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acridin-9-one (PubChem CID 38505423) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 10-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acridin-9-one.

Molecular Properties

Compound Name10-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acridin-9-one
PubChem CID38505423
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name10-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acridin-9-one
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C25H22N4O4/c30-24(27-15-13-26(14-16-27)22-11-5-6-12-23(22)29(32)33)17-28-20-9-3-1-7-18(20)25(31)19-8-2-4-10-21(19)28/h1-12H,13-17H2
InChIKeyWDMARJHQSXTPEF-UHFFFAOYSA-N
XLogP3.41
TPSA88.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 27826035
1-[4-(2-nitrophenyl)piperazin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 55543869
2-(4-hydroxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 78806226
2-(2-chlorophenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 27825019
2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 27007991
3-ethyl-2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 42345766
2-naphthalen-1-yl-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 46562534
(2R)-2-amino-1-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one
CID 78973438
N,N-dimethyl-2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]acetamide
CID 46518244
10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one
CID 55515627
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612578
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935

Frequently Asked Questions

What is the IUPAC name of 10-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acridin-9-one?
The IUPAC name of 10-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acridin-9-one (CID 38505423) is 10-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acridin-9-one.
What is the SMILES notation for 10-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acridin-9-one?
The canonical SMILES for 10-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acridin-9-one is O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of 10-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acridin-9-one?
The InChIKey is WDMARJHQSXTPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c30-24(27-15-13-26(14-16-27)22-11-5-6-12-23(22)29(32)33)17-28-20-9-3-1-7-18(20)25(31)19-8-2-4-10-21(19)28/h1-12H,13-17H2.
What are the key properties of 10-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acridin-9-one?
10-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acridin-9-one has a molecular weight of 442.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acridin-9-one is sourced from PubChem (CID 38505423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).