1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione

C28H23N3O4 — CID 53334673

IUPAC1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
SMILESO=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21)N1CCc2ccccc21
InChIInChI=1S/C28H23N3O4/c32-24(29-17-15-20-10-4-6-12-22(20)29)18-31-25-21-11-5-7-13-23(21)35-26(25)27(33)30(28(31)34)16-14-19-8-2-1-3-9-19/h1-13H,14-18H2
InChIKeyCTCOFKSUKBOFED-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.74
Rot. Bonds5

About 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione (PubChem CID 53334673) has the molecular formula C28H23N3O4 and a molecular weight of 465.51 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
PubChem CID53334673
Molecular FormulaC28H23N3O4
Molecular Weight465.51 g/mol
Exact Mass465.17
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
SMILESO=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21)N1CCc2ccccc21
InChIInChI=1S/C28H23N3O4/c32-24(29-17-15-20-10-4-6-12-22(20)29)18-31-25-21-11-5-7-13-23(21)35-26(25)27(33)30(28(31)34)16-14-19-8-2-1-3-9-19/h1-13H,14-18H2
InChIKeyCTCOFKSUKBOFED-UHFFFAOYSA-N
XLogP3.74
TPSA77.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-3-yl]acetamide
CID 71821807
N-cyclohexyl-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-methylacetamide
CID 53334656
1-methyl-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 155977216
N-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 53365733
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenyl-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 7207914
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 27444620
3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-(2-phenylethyl)quinoxalin-2-one
CID 8849754
7-chloro-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 167782605
2-[2,4-dioxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 53338012
1-[(4-chlorophenyl)methyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxaline-2,3-dione
CID 46357331
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 71821790
3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 46923245

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione (CID 53334673) is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione is O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21)N1CCc2ccccc21.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
The InChIKey is CTCOFKSUKBOFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O4/c32-24(29-17-15-20-10-4-6-12-22(20)29)18-31-25-21-11-5-7-13-23(21)35-26(25)27(33)30(28(31)34)16-14-19-8-2-1-3-9-19/h1-13H,14-18H2.
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione has a molecular weight of 465.51 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 53334673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).