2-(oxiran-2-ylmethyl)-1H-pyrrolo[3,4-b]quinolin-3-one

C14H12N2O2 — CID 53306396

IUPAC2-(oxiran-2-ylmethyl)-1H-pyrrolo[3,4-b]quinolin-3-one
SMILESO=C1c2nc3ccccc3cc2CN1CC1CO1
InChIInChI=1S/C14H12N2O2/c17-14-13-10(6-16(14)7-11-8-18-11)5-9-3-1-2-4-12(9)15-13/h1-5,11H,6-8H2
InChIKeyCFIPZYGWXVGBOW-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.59
Rot. Bonds2

About 2-(oxiran-2-ylmethyl)-1H-pyrrolo[3,4-b]quinolin-3-one

2-(oxiran-2-ylmethyl)-1H-pyrrolo[3,4-b]quinolin-3-one (PubChem CID 53306396) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethyl)-1H-pyrrolo[3,4-b]quinolin-3-one.

Molecular Properties

Compound Name2-(oxiran-2-ylmethyl)-1H-pyrrolo[3,4-b]quinolin-3-one
PubChem CID53306396
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-(oxiran-2-ylmethyl)-1H-pyrrolo[3,4-b]quinolin-3-one
SMILESO=C1c2nc3ccccc3cc2CN1CC1CO1
InChIInChI=1S/C14H12N2O2/c17-14-13-10(6-16(14)7-11-8-18-11)5-9-3-1-2-4-12(9)15-13/h1-5,11H,6-8H2
InChIKeyCFIPZYGWXVGBOW-UHFFFAOYSA-N
XLogP1.59
TPSA45.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethyl)-1H-pyrrolo[3,4-b]quinolin-3-one?
The IUPAC name of 2-(oxiran-2-ylmethyl)-1H-pyrrolo[3,4-b]quinolin-3-one (CID 53306396) is 2-(oxiran-2-ylmethyl)-1H-pyrrolo[3,4-b]quinolin-3-one.
What is the SMILES notation for 2-(oxiran-2-ylmethyl)-1H-pyrrolo[3,4-b]quinolin-3-one?
The canonical SMILES for 2-(oxiran-2-ylmethyl)-1H-pyrrolo[3,4-b]quinolin-3-one is O=C1c2nc3ccccc3cc2CN1CC1CO1.
What is the InChIKey of 2-(oxiran-2-ylmethyl)-1H-pyrrolo[3,4-b]quinolin-3-one?
The InChIKey is CFIPZYGWXVGBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-14-13-10(6-16(14)7-11-8-18-11)5-9-3-1-2-4-12(9)15-13/h1-5,11H,6-8H2.
What are the key properties of 2-(oxiran-2-ylmethyl)-1H-pyrrolo[3,4-b]quinolin-3-one?
2-(oxiran-2-ylmethyl)-1H-pyrrolo[3,4-b]quinolin-3-one has a molecular weight of 240.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethyl)-1H-pyrrolo[3,4-b]quinolin-3-one is sourced from PubChem (CID 53306396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).