6-(1-ethoxy-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)-7-fluoro-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one

C24H24FN3O4 — CID 14423623

IUPAC6-(1-ethoxy-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)-7-fluoro-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
SMILESCCOC1C2=C(CCCC2)C(=O)N1c1cc2c(cc1F)OCC(=O)N2Cc1ccccn1
InChIInChI=1S/C24H24FN3O4/c1-2-31-24-17-9-4-3-8-16(17)23(30)28(24)19-12-20-21(11-18(19)25)32-14-22(29)27(20)13-15-7-5-6-10-26-15/h5-7,10-12,24H,2-4,8-9,13-14H2,1H3
InChIKeyOHEDFGPRTPOVOM-UHFFFAOYSA-N
MW437.47 g/mol
LogP3.73
Rot. Bonds5

About 6-(1-ethoxy-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)-7-fluoro-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one

6-(1-ethoxy-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)-7-fluoro-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one (PubChem CID 14423623) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is 6-(1-ethoxy-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)-7-fluoro-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(1-ethoxy-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)-7-fluoro-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
PubChem CID14423623
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name6-(1-ethoxy-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)-7-fluoro-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
SMILESCCOC1C2=C(CCCC2)C(=O)N1c1cc2c(cc1F)OCC(=O)N2Cc1ccccn1
InChIInChI=1S/C24H24FN3O4/c1-2-31-24-17-9-4-3-8-16(17)23(30)28(24)19-12-20-21(11-18(19)25)32-14-22(29)27(20)13-15-7-5-6-10-26-15/h5-7,10-12,24H,2-4,8-9,13-14H2,1H3
InChIKeyOHEDFGPRTPOVOM-UHFFFAOYSA-N
XLogP3.73
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(1-ethoxy-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)-7-fluoro-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-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 6-(1-ethoxy-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)-7-fluoro-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 6-(1-ethoxy-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)-7-fluoro-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one (CID 14423623) is 6-(1-ethoxy-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)-7-fluoro-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(1-ethoxy-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)-7-fluoro-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(1-ethoxy-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)-7-fluoro-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one is CCOC1C2=C(CCCC2)C(=O)N1c1cc2c(cc1F)OCC(=O)N2Cc1ccccn1.
What is the InChIKey of 6-(1-ethoxy-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)-7-fluoro-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one?
The InChIKey is OHEDFGPRTPOVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-2-31-24-17-9-4-3-8-16(17)23(30)28(24)19-12-20-21(11-18(19)25)32-14-22(29)27(20)13-15-7-5-6-10-26-15/h5-7,10-12,24H,2-4,8-9,13-14H2,1H3.
What are the key properties of 6-(1-ethoxy-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)-7-fluoro-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one?
6-(1-ethoxy-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)-7-fluoro-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one has a molecular weight of 437.47 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxy-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)-7-fluoro-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 14423623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).