1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one

C25H24N2O3 — CID 90198810

IUPAC1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one
SMILESCCN1CCc2oc3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc3c2C1
InChIInChI=1S/C25H24N2O3/c1-2-26-12-11-23-22(16-26)21-9-8-19(14-24(21)30-23)27-13-10-20(15-25(27)28)29-17-18-6-4-3-5-7-18/h3-10,13-15H,2,11-12,16-17H2,1H3
InChIKeyFAYNDWNNVIZWFZ-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.54
Rot. Bonds5

About 1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one

1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one (PubChem CID 90198810) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one
PubChem CID90198810
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one
SMILESCCN1CCc2oc3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc3c2C1
InChIInChI=1S/C25H24N2O3/c1-2-26-12-11-23-22(16-26)21-9-8-19(14-24(21)30-23)27-13-10-20(15-25(27)28)29-17-18-6-4-3-5-7-18/h3-10,13-15H,2,11-12,16-17H2,1H3
InChIKeyFAYNDWNNVIZWFZ-UHFFFAOYSA-N
XLogP4.54
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-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 1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one (CID 90198810) is 1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one is CCN1CCc2oc3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc3c2C1.
What is the InChIKey of 1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one?
The InChIKey is FAYNDWNNVIZWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-2-26-12-11-23-22(16-26)21-9-8-19(14-24(21)30-23)27-13-10-20(15-25(27)28)29-17-18-6-4-3-5-7-18/h3-10,13-15H,2,11-12,16-17H2,1H3.
What are the key properties of 1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one?
1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one has a molecular weight of 400.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 90198810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).