[2-(furan-2-yl)-4-oxochromen-3-yl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate

C30H19NO7 — CID 4184550

IUPAC[2-(furan-2-yl)-4-oxochromen-3-yl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
SMILESO=C(Oc1c(-c2ccco2)oc2ccccc2c1=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C30H19NO7/c32-25-21-13-6-7-14-23(21)37-26(24-15-8-16-36-24)27(25)38-30(35)22(17-18-9-2-1-3-10-18)31-28(33)19-11-4-5-12-20(19)29(31)34/h1-16,22H,17H2
InChIKeyJLLDUZBSZVWMCL-UHFFFAOYSA-N
MW505.48 g/mol
LogP4.87
Rot. Bonds6

About [2-(furan-2-yl)-4-oxochromen-3-yl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate

[2-(furan-2-yl)-4-oxochromen-3-yl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate (PubChem CID 4184550) has the molecular formula C30H19NO7 and a molecular weight of 505.48 g/mol. Its IUPAC name is [2-(furan-2-yl)-4-oxochromen-3-yl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(furan-2-yl)-4-oxochromen-3-yl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
PubChem CID4184550
Molecular FormulaC30H19NO7
Molecular Weight505.48 g/mol
Exact Mass505.12
IUPAC Name[2-(furan-2-yl)-4-oxochromen-3-yl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
SMILESO=C(Oc1c(-c2ccco2)oc2ccccc2c1=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C30H19NO7/c32-25-21-13-6-7-14-23(21)37-26(24-15-8-16-36-24)27(25)38-30(35)22(17-18-9-2-1-3-10-18)31-28(33)19-11-4-5-12-20(19)29(31)34/h1-16,22H,17H2
InChIKeyJLLDUZBSZVWMCL-UHFFFAOYSA-N
XLogP4.87
TPSA107.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.48
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 3374835
(2-ethoxyphenyl) 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 4224844
ethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 830179
(4-bromophenyl) (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 1308345
(2,3-dimethylphenyl) (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 40597670
(2-cyanophenyl) (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 22771068
[(3S)-3-(1,3-dioxoisoindol-2-yl)-2-oxo-4-phenylbutyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 23314933
(3-phenoxyphenyl) (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 2364921
2-oxopropyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 22110471
(6-phenylbenzo[a]phenazin-5-yl) (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 98365116
(6-phenylbenzo[a]phenazin-5-yl) (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 98365118
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)propanoate
CID 146201481

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-4-oxochromen-3-yl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate?
The IUPAC name of [2-(furan-2-yl)-4-oxochromen-3-yl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate (CID 4184550) is [2-(furan-2-yl)-4-oxochromen-3-yl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate.
What is the SMILES notation for [2-(furan-2-yl)-4-oxochromen-3-yl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate?
The canonical SMILES for [2-(furan-2-yl)-4-oxochromen-3-yl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate is O=C(Oc1c(-c2ccco2)oc2ccccc2c1=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of [2-(furan-2-yl)-4-oxochromen-3-yl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate?
The InChIKey is JLLDUZBSZVWMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19NO7/c32-25-21-13-6-7-14-23(21)37-26(24-15-8-16-36-24)27(25)38-30(35)22(17-18-9-2-1-3-10-18)31-28(33)19-11-4-5-12-20(19)29(31)34/h1-16,22H,17H2.
What are the key properties of [2-(furan-2-yl)-4-oxochromen-3-yl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate?
[2-(furan-2-yl)-4-oxochromen-3-yl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate has a molecular weight of 505.48 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-4-oxochromen-3-yl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate is sourced from PubChem (CID 4184550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).