(2,5-dioxopyrrolidin-1-yl) 2-methylacridine-1-carboxylate

C19H14N2O4 — CID 139948431

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-methylacridine-1-carboxylate
SMILESCc1ccc2nc3ccccc3cc2c1C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H14N2O4/c1-11-6-7-15-13(10-12-4-2-3-5-14(12)20-15)18(11)19(24)25-21-16(22)8-9-17(21)23/h2-7,10H,8-9H2,1H3
InChIKeyHEMLATXTFOARPF-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.92
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) 2-methylacridine-1-carboxylate

(2,5-dioxopyrrolidin-1-yl) 2-methylacridine-1-carboxylate (PubChem CID 139948431) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-methylacridine-1-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-methylacridine-1-carboxylate
PubChem CID139948431
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-methylacridine-1-carboxylate
SMILESCc1ccc2nc3ccccc3cc2c1C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H14N2O4/c1-11-6-7-15-13(10-12-4-2-3-5-14(12)20-15)18(11)19(24)25-21-16(22)8-9-17(21)23/h2-7,10H,8-9H2,1H3
InChIKeyHEMLATXTFOARPF-UHFFFAOYSA-N
XLogP2.92
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-methylacridine-1-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-methylacridine-1-carboxylate (CID 139948431) is (2,5-dioxopyrrolidin-1-yl) 2-methylacridine-1-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-methylacridine-1-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-methylacridine-1-carboxylate is Cc1ccc2nc3ccccc3cc2c1C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-methylacridine-1-carboxylate?
The InChIKey is HEMLATXTFOARPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-11-6-7-15-13(10-12-4-2-3-5-14(12)20-15)18(11)19(24)25-21-16(22)8-9-17(21)23/h2-7,10H,8-9H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-methylacridine-1-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 2-methylacridine-1-carboxylate has a molecular weight of 334.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-methylacridine-1-carboxylate is sourced from PubChem (CID 139948431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).