2-(7-fluoro-4-methyl-2-oxochromen-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione

C18H14FNO4 — CID 139642658

IUPAC2-(7-fluoro-4-methyl-2-oxochromen-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESCc1cc(=O)oc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc12
InChIInChI=1S/C18H14FNO4/c1-9-6-16(21)24-15-8-13(19)14(7-12(9)15)20-17(22)10-4-2-3-5-11(10)18(20)23/h6-8H,2-5H2,1H3
InChIKeyFMGQGXPMBCKARV-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.98
Rot. Bonds1

About 2-(7-fluoro-4-methyl-2-oxochromen-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione

2-(7-fluoro-4-methyl-2-oxochromen-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione (PubChem CID 139642658) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-(7-fluoro-4-methyl-2-oxochromen-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(7-fluoro-4-methyl-2-oxochromen-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
PubChem CID139642658
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Name2-(7-fluoro-4-methyl-2-oxochromen-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESCc1cc(=O)oc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc12
InChIInChI=1S/C18H14FNO4/c1-9-6-16(21)24-15-8-13(19)14(7-12(9)15)20-17(22)10-4-2-3-5-11(10)18(20)23/h6-8H,2-5H2,1H3
InChIKeyFMGQGXPMBCKARV-UHFFFAOYSA-N
XLogP2.98
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-4-methyl-2-oxochromen-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The IUPAC name of 2-(7-fluoro-4-methyl-2-oxochromen-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione (CID 139642658) is 2-(7-fluoro-4-methyl-2-oxochromen-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione.
What is the SMILES notation for 2-(7-fluoro-4-methyl-2-oxochromen-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The canonical SMILES for 2-(7-fluoro-4-methyl-2-oxochromen-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione is Cc1cc(=O)oc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc12.
What is the InChIKey of 2-(7-fluoro-4-methyl-2-oxochromen-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The InChIKey is FMGQGXPMBCKARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-9-6-16(21)24-15-8-13(19)14(7-12(9)15)20-17(22)10-4-2-3-5-11(10)18(20)23/h6-8H,2-5H2,1H3.
What are the key properties of 2-(7-fluoro-4-methyl-2-oxochromen-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
2-(7-fluoro-4-methyl-2-oxochromen-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione has a molecular weight of 327.31 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-4-methyl-2-oxochromen-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 139642658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).