4-(8-fluoro-2-methylquinolin-4-yl)-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one

C24H18FNO4 — CID 165394240

IUPAC4-(8-fluoro-2-methylquinolin-4-yl)-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1cc2cc3c(c(-c4cc(C)nc5c(F)cccc45)c2cc1OC)C(=O)OC3
InChIInChI=1S/C24H18FNO4/c1-12-7-17(15-5-4-6-18(25)23(15)26-12)22-16-10-20(29-3)19(28-2)9-13(16)8-14-11-30-24(27)21(14)22/h4-10H,11H2,1-3H3
InChIKeyFJLFZSUTKCJSPR-UHFFFAOYSA-N
MW403.41 g/mol
LogP5.19
Rot. Bonds3

About 4-(8-fluoro-2-methylquinolin-4-yl)-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one

4-(8-fluoro-2-methylquinolin-4-yl)-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one (PubChem CID 165394240) has the molecular formula C24H18FNO4 and a molecular weight of 403.41 g/mol. Its IUPAC name is 4-(8-fluoro-2-methylquinolin-4-yl)-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one.

Molecular Properties

Compound Name4-(8-fluoro-2-methylquinolin-4-yl)-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
PubChem CID165394240
Molecular FormulaC24H18FNO4
Molecular Weight403.41 g/mol
Exact Mass403.12
IUPAC Name4-(8-fluoro-2-methylquinolin-4-yl)-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1cc2cc3c(c(-c4cc(C)nc5c(F)cccc45)c2cc1OC)C(=O)OC3
InChIInChI=1S/C24H18FNO4/c1-12-7-17(15-5-4-6-18(25)23(15)26-12)22-16-10-20(29-3)19(28-2)9-13(16)8-14-11-30-24(27)21(14)22/h4-10H,11H2,1-3H3
InChIKeyFJLFZSUTKCJSPR-UHFFFAOYSA-N
XLogP5.19
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.41
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(8-fluoro-2-methylquinolin-4-yl)-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?
The IUPAC name of 4-(8-fluoro-2-methylquinolin-4-yl)-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one (CID 165394240) is 4-(8-fluoro-2-methylquinolin-4-yl)-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one.
What is the SMILES notation for 4-(8-fluoro-2-methylquinolin-4-yl)-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?
The canonical SMILES for 4-(8-fluoro-2-methylquinolin-4-yl)-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one is COc1cc2cc3c(c(-c4cc(C)nc5c(F)cccc45)c2cc1OC)C(=O)OC3.
What is the InChIKey of 4-(8-fluoro-2-methylquinolin-4-yl)-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?
The InChIKey is FJLFZSUTKCJSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO4/c1-12-7-17(15-5-4-6-18(25)23(15)26-12)22-16-10-20(29-3)19(28-2)9-13(16)8-14-11-30-24(27)21(14)22/h4-10H,11H2,1-3H3.
What are the key properties of 4-(8-fluoro-2-methylquinolin-4-yl)-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?
4-(8-fluoro-2-methylquinolin-4-yl)-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one has a molecular weight of 403.41 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-fluoro-2-methylquinolin-4-yl)-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one is sourced from PubChem (CID 165394240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).