1-benzoyl-3-(1H-indol-2-yl)-1,3-diazinane-2,4,6-trione

C19H13N3O4 — CID 90259373

IUPAC1-benzoyl-3-(1H-indol-2-yl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(c2cc3ccccc3[nH]2)C(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C19H13N3O4/c23-16-11-17(24)22(18(25)12-6-2-1-3-7-12)19(26)21(16)15-10-13-8-4-5-9-14(13)20-15/h1-10,20H,11H2
InChIKeyAIOOQTOBIOZQFY-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.69
Rot. Bonds2

About 1-benzoyl-3-(1H-indol-2-yl)-1,3-diazinane-2,4,6-trione

1-benzoyl-3-(1H-indol-2-yl)-1,3-diazinane-2,4,6-trione (PubChem CID 90259373) has the molecular formula C19H13N3O4 and a molecular weight of 347.33 g/mol. Its IUPAC name is 1-benzoyl-3-(1H-indol-2-yl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-benzoyl-3-(1H-indol-2-yl)-1,3-diazinane-2,4,6-trione
PubChem CID90259373
Molecular FormulaC19H13N3O4
Molecular Weight347.33 g/mol
Exact Mass347.09
IUPAC Name1-benzoyl-3-(1H-indol-2-yl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(c2cc3ccccc3[nH]2)C(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C19H13N3O4/c23-16-11-17(24)22(18(25)12-6-2-1-3-7-12)19(26)21(16)15-10-13-8-4-5-9-14(13)20-15/h1-10,20H,11H2
InChIKeyAIOOQTOBIOZQFY-UHFFFAOYSA-N
XLogP2.69
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-3-(1H-indol-2-yl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-benzoyl-3-(1H-indol-2-yl)-1,3-diazinane-2,4,6-trione (CID 90259373) is 1-benzoyl-3-(1H-indol-2-yl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-benzoyl-3-(1H-indol-2-yl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-benzoyl-3-(1H-indol-2-yl)-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(c2cc3ccccc3[nH]2)C(=O)N1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-3-(1H-indol-2-yl)-1,3-diazinane-2,4,6-trione?
The InChIKey is AIOOQTOBIOZQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4/c23-16-11-17(24)22(18(25)12-6-2-1-3-7-12)19(26)21(16)15-10-13-8-4-5-9-14(13)20-15/h1-10,20H,11H2.
What are the key properties of 1-benzoyl-3-(1H-indol-2-yl)-1,3-diazinane-2,4,6-trione?
1-benzoyl-3-(1H-indol-2-yl)-1,3-diazinane-2,4,6-trione has a molecular weight of 347.33 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-3-(1H-indol-2-yl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 90259373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).