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

C24H23N3O4 — CID 7207914

IUPAC1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenyl-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
SMILESO=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2oc3ccccc3c21)N1CCCCCC1
InChIInChI=1S/C24H23N3O4/c28-20(25-14-8-1-2-9-15-25)16-26-21-18-12-6-7-13-19(18)31-22(21)23(29)27(24(26)30)17-10-4-3-5-11-17/h3-7,10-13H,1-2,8-9,14-16H2
InChIKeyYSXGTIQUOUUVOU-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.30
Rot. Bonds3

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

1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenyl-[1]benzofuro[3,2-d]pyrimidine-2,4-dione (PubChem CID 7207914) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenyl-[1]benzofuro[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenyl-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
PubChem CID7207914
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenyl-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
SMILESO=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2oc3ccccc3c21)N1CCCCCC1
InChIInChI=1S/C24H23N3O4/c28-20(25-14-8-1-2-9-15-25)16-26-21-18-12-6-7-13-19(18)31-22(21)23(29)27(24(26)30)17-10-4-3-5-11-17/h3-7,10-13H,1-2,8-9,14-16H2
InChIKeyYSXGTIQUOUUVOU-UHFFFAOYSA-N
XLogP3.30
TPSA77.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenyl-[1]benzofuro[3,2-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[2-(azepan-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 16798895
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
ethyl 2-[[2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetyl]amino]acetate
CID 18563313
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 16798892
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 53334673
N-(4-acetylphenyl)-2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 18563331
2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide
CID 18563318
3-[2-(azocan-1-yl)-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 51145503
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
1-oxo-3-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-2-phenylisoquinoline-4-carboxylic acid
CID 67132851
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935
N-cyclohexyl-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-methylacetamide
CID 53334656

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenyl-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenyl-[1]benzofuro[3,2-d]pyrimidine-2,4-dione (CID 7207914) is 1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenyl-[1]benzofuro[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenyl-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenyl-[1]benzofuro[3,2-d]pyrimidine-2,4-dione is O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2oc3ccccc3c21)N1CCCCCC1.
What is the InChIKey of 1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenyl-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
The InChIKey is YSXGTIQUOUUVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c28-20(25-14-8-1-2-9-15-25)16-26-21-18-12-6-7-13-19(18)31-22(21)23(29)27(24(26)30)17-10-4-3-5-11-17/h3-7,10-13H,1-2,8-9,14-16H2.
What are the key properties of 1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenyl-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenyl-[1]benzofuro[3,2-d]pyrimidine-2,4-dione has a molecular weight of 417.47 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenyl-[1]benzofuro[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 7207914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).