1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid

C20H18N2O4 — CID 119355662

IUPAC1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C20H18N2O4/c23-18(21-11-5-10-17(21)20(25)26)12-22-15-8-3-1-6-13(15)19(24)14-7-2-4-9-16(14)22/h1-4,6-9,17H,5,10-12H2,(H,25,26)
InChIKeyQHTHDSPWCILTRU-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.23
Rot. Bonds3

About 1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid

1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 119355662) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID119355662
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C20H18N2O4/c23-18(21-11-5-10-17(21)20(25)26)12-22-15-8-3-1-6-13(15)19(24)14-7-2-4-9-16(14)22/h1-4,6-9,17H,5,10-12H2,(H,25,26)
InChIKeyQHTHDSPWCILTRU-UHFFFAOYSA-N
XLogP2.23
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119632340
N-methyl-1-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]acetyl]pyrrolidine-2-carboxamide
CID 56533854
1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 119176148
10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one
CID 119489974
10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one
CID 33179862
(2S)-1-[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119365503
(2S)-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 122111228
1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide
CID 134051532
10-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]acridin-9-one
CID 119471378
2-[4-[2-(9-oxoacridin-10-yl)acetyl]thiomorpholin-3-yl]acetic acid
CID 120520582
1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 22665663
(3S,4S)-4-methyl-1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120953481

Frequently Asked Questions

What is the IUPAC name of 1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 119355662) is 1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of 1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is QHTHDSPWCILTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-18(21-11-5-10-17(21)20(25)26)12-22-15-8-3-1-6-13(15)19(24)14-7-2-4-9-16(14)22/h1-4,6-9,17H,5,10-12H2,(H,25,26).
What are the key properties of 1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid?
1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 350.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119355662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).