methyl 7-fluoro-4-[(2-fluoro-4-pyridinyl)-morpholin-4-ylmethyl]-5-hydroxybenzo[g][1]benzofuran-3-carboxylate

C24H20F2N2O5 — CID 71765968

IUPACmethyl 7-fluoro-4-[(2-fluoro-4-pyridinyl)-morpholin-4-ylmethyl]-5-hydroxybenzo[g][1]benzofuran-3-carboxylate
SMILESCOC(=O)c1coc2c1c(C(c1ccnc(F)c1)N1CCOCC1)c(O)c1cc(F)ccc12
InChIInChI=1S/C24H20F2N2O5/c1-31-24(30)17-12-33-23-15-3-2-14(25)11-16(15)22(29)20(19(17)23)21(28-6-8-32-9-7-28)13-4-5-27-18(26)10-13/h2-5,10-12,21,29H,6-9H2,1H3
InChIKeyOFCRRHWBEXUNRU-UHFFFAOYSA-N
MW454.43 g/mol
LogP4.17
Rot. Bonds4

About methyl 7-fluoro-4-[(2-fluoro-4-pyridinyl)-morpholin-4-ylmethyl]-5-hydroxybenzo[g][1]benzofuran-3-carboxylate

methyl 7-fluoro-4-[(2-fluoro-4-pyridinyl)-morpholin-4-ylmethyl]-5-hydroxybenzo[g][1]benzofuran-3-carboxylate (PubChem CID 71765968) has the molecular formula C24H20F2N2O5 and a molecular weight of 454.43 g/mol. Its IUPAC name is methyl 7-fluoro-4-[(2-fluoro-4-pyridinyl)-morpholin-4-ylmethyl]-5-hydroxybenzo[g][1]benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-4-[(2-fluoro-4-pyridinyl)-morpholin-4-ylmethyl]-5-hydroxybenzo[g][1]benzofuran-3-carboxylate
PubChem CID71765968
Molecular FormulaC24H20F2N2O5
Molecular Weight454.43 g/mol
Exact Mass454.13
IUPAC Namemethyl 7-fluoro-4-[(2-fluoro-4-pyridinyl)-morpholin-4-ylmethyl]-5-hydroxybenzo[g][1]benzofuran-3-carboxylate
SMILESCOC(=O)c1coc2c1c(C(c1ccnc(F)c1)N1CCOCC1)c(O)c1cc(F)ccc12
InChIInChI=1S/C24H20F2N2O5/c1-31-24(30)17-12-33-23-15-3-2-14(25)11-16(15)22(29)20(19(17)23)21(28-6-8-32-9-7-28)13-4-5-27-18(26)10-13/h2-5,10-12,21,29H,6-9H2,1H3
InChIKeyOFCRRHWBEXUNRU-UHFFFAOYSA-N
XLogP4.17
TPSA85.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze methyl 7-fluoro-4-[(2-fluoro-4-pyridinyl)-morpholin-4-ylmethyl]-5-hydroxybenzo[g][1]benzofuran-3-carboxylate 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 methyl 7-fluoro-4-[(2-fluoro-4-pyridinyl)-morpholin-4-ylmethyl]-5-hydroxybenzo[g][1]benzofuran-3-carboxylate?
The IUPAC name of methyl 7-fluoro-4-[(2-fluoro-4-pyridinyl)-morpholin-4-ylmethyl]-5-hydroxybenzo[g][1]benzofuran-3-carboxylate (CID 71765968) is methyl 7-fluoro-4-[(2-fluoro-4-pyridinyl)-morpholin-4-ylmethyl]-5-hydroxybenzo[g][1]benzofuran-3-carboxylate.
What is the SMILES notation for methyl 7-fluoro-4-[(2-fluoro-4-pyridinyl)-morpholin-4-ylmethyl]-5-hydroxybenzo[g][1]benzofuran-3-carboxylate?
The canonical SMILES for methyl 7-fluoro-4-[(2-fluoro-4-pyridinyl)-morpholin-4-ylmethyl]-5-hydroxybenzo[g][1]benzofuran-3-carboxylate is COC(=O)c1coc2c1c(C(c1ccnc(F)c1)N1CCOCC1)c(O)c1cc(F)ccc12.
What is the InChIKey of methyl 7-fluoro-4-[(2-fluoro-4-pyridinyl)-morpholin-4-ylmethyl]-5-hydroxybenzo[g][1]benzofuran-3-carboxylate?
The InChIKey is OFCRRHWBEXUNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O5/c1-31-24(30)17-12-33-23-15-3-2-14(25)11-16(15)22(29)20(19(17)23)21(28-6-8-32-9-7-28)13-4-5-27-18(26)10-13/h2-5,10-12,21,29H,6-9H2,1H3.
What are the key properties of methyl 7-fluoro-4-[(2-fluoro-4-pyridinyl)-morpholin-4-ylmethyl]-5-hydroxybenzo[g][1]benzofuran-3-carboxylate?
methyl 7-fluoro-4-[(2-fluoro-4-pyridinyl)-morpholin-4-ylmethyl]-5-hydroxybenzo[g][1]benzofuran-3-carboxylate has a molecular weight of 454.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-4-[(2-fluoro-4-pyridinyl)-morpholin-4-ylmethyl]-5-hydroxybenzo[g][1]benzofuran-3-carboxylate is sourced from PubChem (CID 71765968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).