10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride

C21H24ClN3O2 — CID 119539969

IUPAC10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
SMILESCNCC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1.Cl
InChIInChI=1S/C21H23N3O2.ClH/c1-22-12-15-10-11-23(13-15)20(25)14-24-18-8-4-2-6-16(18)21(26)17-7-3-5-9-19(17)24;/h2-9,15,22H,10-14H2,1H3;1H
InChIKeyOLIGMYWGDXLZFG-UHFFFAOYSA-N
MW385.90 g/mol
LogP2.64
Rot. Bonds4

About 10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride

10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride (PubChem CID 119539969) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride.

Molecular Properties

Compound Name10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
PubChem CID119539969
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
SMILESCNCC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1.Cl
InChIInChI=1S/C21H23N3O2.ClH/c1-22-12-15-10-11-23(13-15)20(25)14-24-18-8-4-2-6-16(18)21(26)17-7-3-5-9-19(17)24;/h2-9,15,22H,10-14H2,1H3;1H
InChIKeyOLIGMYWGDXLZFG-UHFFFAOYSA-N
XLogP2.64
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 52.64
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-[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
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 119540436
10-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]acridin-9-one;hydrochloride
CID 120996346
1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide
CID 134051532
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 55168474
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119260619
10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one
CID 33179862
(3S,4S)-4-methyl-1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120953481
10-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]acridin-9-one
CID 25348640
1-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 63263320
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

Frequently Asked Questions

What is the IUPAC name of 10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride?
The IUPAC name of 10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride (CID 119539969) is 10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride.
What is the SMILES notation for 10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride?
The canonical SMILES for 10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride is CNCC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1.Cl.
What is the InChIKey of 10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride?
The InChIKey is OLIGMYWGDXLZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2.ClH/c1-22-12-15-10-11-23(13-15)20(25)14-24-18-8-4-2-6-16(18)21(26)17-7-3-5-9-19(17)24;/h2-9,15,22H,10-14H2,1H3;1H.
What are the key properties of 10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride?
10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride has a molecular weight of 385.90 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride is sourced from PubChem (CID 119539969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).