10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one

C24H25N3O4 — CID 55515627

IUPAC10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C24H25N3O4/c28-22(25-11-13-26(14-12-25)24(30)21-10-5-15-31-21)16-27-19-8-3-1-6-17(19)23(29)18-7-2-4-9-20(18)27/h1-4,6-9,21H,5,10-16H2
InChIKeyKTKSWVKUMXBWJW-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.00
Rot. Bonds3

About 10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one

10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one (PubChem CID 55515627) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one.

Molecular Properties

Compound Name10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one
PubChem CID55515627
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C24H25N3O4/c28-22(25-11-13-26(14-12-25)24(30)21-10-5-15-31-21)16-27-19-8-3-1-6-17(19)23(29)18-7-2-4-9-20(18)27/h1-4,6-9,21H,5,10-16H2
InChIKeyKTKSWVKUMXBWJW-UHFFFAOYSA-N
XLogP2.00
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 55379515
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110797536
[4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 35045548
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935
10-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]acridin-9-one
CID 25348640
2-(2-chlorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110797575
N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 2979685
10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119544334
10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one
CID 119489974
N,N-dimethyl-2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]acetamide
CID 46518244
N-(9-ethylcarbazol-3-yl)-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 27248278
N-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide
CID 110807089

Frequently Asked Questions

What is the IUPAC name of 10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one?
The IUPAC name of 10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one (CID 55515627) is 10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one.
What is the SMILES notation for 10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one?
The canonical SMILES for 10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one is O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one?
The InChIKey is KTKSWVKUMXBWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c28-22(25-11-13-26(14-12-25)24(30)21-10-5-15-31-21)16-27-19-8-3-1-6-17(19)23(29)18-7-2-4-9-20(18)27/h1-4,6-9,21H,5,10-16H2.
What are the key properties of 10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one?
10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one has a molecular weight of 419.48 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one is sourced from PubChem (CID 55515627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).