10-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]acridin-9-one

C20H21N3O2 — CID 119471378

IUPAC10-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]acridin-9-one
SMILESCC1CNCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C20H21N3O2/c1-14-12-21-10-11-22(14)19(24)13-23-17-8-4-2-6-15(17)20(25)16-7-3-5-9-18(16)23/h2-9,14,21H,10-13H2,1H3
InChIKeyLOLWFXZAMJOWSC-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.98
Rot. Bonds2

About 10-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]acridin-9-one

10-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]acridin-9-one (PubChem CID 119471378) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 10-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]acridin-9-one.

Molecular Properties

Compound Name10-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]acridin-9-one
PubChem CID119471378
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name10-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]acridin-9-one
SMILESCC1CNCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C20H21N3O2/c1-14-12-21-10-11-22(14)19(24)13-23-17-8-4-2-6-15(17)20(25)16-7-3-5-9-18(16)23/h2-9,14,21H,10-13H2,1H3
InChIKeyLOLWFXZAMJOWSC-UHFFFAOYSA-N
XLogP1.98
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]acridin-9-one;hydrochloride
CID 120996346
1-(2-methylpiperazin-1-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone;dihydrochloride
CID 119472696
1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 62672588
1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119355662
10-[2-[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acridin-9-one
CID 154866339
3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 119472296
10-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119632340
1-ethyl-4-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione
CID 119472577
2-methyl-1-(2-methylpiperazin-1-yl)-2-phenylpropan-1-one
CID 62673288
1-[2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 82705535
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 124570696

Frequently Asked Questions

What is the IUPAC name of 10-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]acridin-9-one?
The IUPAC name of 10-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]acridin-9-one (CID 119471378) is 10-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]acridin-9-one.
What is the SMILES notation for 10-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]acridin-9-one?
The canonical SMILES for 10-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]acridin-9-one is CC1CNCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of 10-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]acridin-9-one?
The InChIKey is LOLWFXZAMJOWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-12-21-10-11-22(14)19(24)13-23-17-8-4-2-6-15(17)20(25)16-7-3-5-9-18(16)23/h2-9,14,21H,10-13H2,1H3.
What are the key properties of 10-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]acridin-9-one?
10-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]acridin-9-one has a molecular weight of 335.41 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]acridin-9-one is sourced from PubChem (CID 119471378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).