3-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-1H-pyrimidine-2,4-dione

C18H14ClN3O2 — CID 4622520

IUPAC3-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCc3ccccc32)[nH]c(=O)n1-c1ccccc1Cl
InChIInChI=1S/C18H14ClN3O2/c19-13-6-2-4-8-15(13)22-17(23)11-16(20-18(22)24)21-10-9-12-5-1-3-7-14(12)21/h1-8,11H,9-10H2,(H,20,24)
InChIKeyXWCLHAOLYUFGTO-UHFFFAOYSA-N
MW339.78 g/mol
LogP2.87
Rot. Bonds2

About 3-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-1H-pyrimidine-2,4-dione

3-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 4622520) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID4622520
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name3-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCc3ccccc32)[nH]c(=O)n1-c1ccccc1Cl
InChIInChI=1S/C18H14ClN3O2/c19-13-6-2-4-8-15(13)22-17(23)11-16(20-18(22)24)21-10-9-12-5-1-3-7-14(12)21/h1-8,11H,9-10H2,(H,20,24)
InChIKeyXWCLHAOLYUFGTO-UHFFFAOYSA-N
XLogP2.87
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-1H-pyrimidine-2,4-dione (CID 4622520) is 3-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-1H-pyrimidine-2,4-dione is O=c1cc(N2CCc3ccccc32)[nH]c(=O)n1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is XWCLHAOLYUFGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-13-6-2-4-8-15(13)22-17(23)11-16(20-18(22)24)21-10-9-12-5-1-3-7-14(12)21/h1-8,11H,9-10H2,(H,20,24).
What are the key properties of 3-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-1H-pyrimidine-2,4-dione?
3-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 339.78 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 4622520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).