2'-(phenoxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one

C25H19N3O2 — CID 16737199

IUPAC2'-(phenoxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
SMILESO=C1Nc2ncccc2C12Cc1cc3ccc(COc4ccccc4)nc3cc1C2
InChIInChI=1S/C25H19N3O2/c29-24-25(21-7-4-10-26-23(21)28-24)13-17-11-16-8-9-19(27-22(16)12-18(17)14-25)15-30-20-5-2-1-3-6-20/h1-12H,13-15H2,(H,26,28,29)
InChIKeyBGNPYIBCAGXLOH-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.20
Rot. Bonds3

About 2'-(phenoxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one

2'-(phenoxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one (PubChem CID 16737199) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2'-(phenoxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one.

Molecular Properties

Compound Name2'-(phenoxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
PubChem CID16737199
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name2'-(phenoxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
SMILESO=C1Nc2ncccc2C12Cc1cc3ccc(COc4ccccc4)nc3cc1C2
InChIInChI=1S/C25H19N3O2/c29-24-25(21-7-4-10-26-23(21)28-24)13-17-11-16-8-9-19(27-22(16)12-18(17)14-25)15-30-20-5-2-1-3-6-20/h1-12H,13-15H2,(H,26,28,29)
InChIKeyBGNPYIBCAGXLOH-UHFFFAOYSA-N
XLogP4.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2'-(phenoxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2'-(phenoxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
The IUPAC name of 2'-(phenoxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one (CID 16737199) is 2'-(phenoxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one.
What is the SMILES notation for 2'-(phenoxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
The canonical SMILES for 2'-(phenoxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one is O=C1Nc2ncccc2C12Cc1cc3ccc(COc4ccccc4)nc3cc1C2.
What is the InChIKey of 2'-(phenoxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
The InChIKey is BGNPYIBCAGXLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c29-24-25(21-7-4-10-26-23(21)28-24)13-17-11-16-8-9-19(27-22(16)12-18(17)14-25)15-30-20-5-2-1-3-6-20/h1-12H,13-15H2,(H,26,28,29).
What are the key properties of 2'-(phenoxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
2'-(phenoxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one has a molecular weight of 393.45 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(phenoxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one is sourced from PubChem (CID 16737199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).