1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione

C13H13N3O2 — CID 168870529

IUPAC1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione
SMILESCn1ccc2c(N3CCC(=O)NC3=O)cccc21
InChIInChI=1S/C13H13N3O2/c1-15-7-5-9-10(15)3-2-4-11(9)16-8-6-12(17)14-13(16)18/h2-5,7H,6,8H2,1H3,(H,14,17,18)
InChIKeyIQHOHMPZABLWMC-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.62
Rot. Bonds1

About 1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione

1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione (PubChem CID 168870529) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione
PubChem CID168870529
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione
SMILESCn1ccc2c(N3CCC(=O)NC3=O)cccc21
InChIInChI=1S/C13H13N3O2/c1-15-7-5-9-10(15)3-2-4-11(9)16-8-6-12(17)14-13(16)18/h2-5,7H,6,8H2,1H3,(H,14,17,18)
InChIKeyIQHOHMPZABLWMC-UHFFFAOYSA-N
XLogP1.62
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione
CID 155261434
1-(6-fluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione
CID 176563503
1-(4,6-difluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione
CID 176562532
1-(2-methyl-3-propan-2-ylphenyl)-1,3-diazinane-2,4-dione
CID 170954148
1-(1,6-dimethylindol-3-yl)-1,3-diazinane-2,4-dione
CID 154953984
1-(2-hydroxyphenyl)-1,3-diazinane-2,4-dione
CID 15060157
1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione
CID 79776901
1-(1-ethylisoquinolin-5-yl)-1,3-diazinane-2,4-dione
CID 176559772
1-(1,2-dimethyl-3-propan-2-ylindol-7-yl)-1,3-diazinane-2,4-dione
CID 176562040
3-azabicyclo[3.1.0]hexane;1-[1-(1-methylpiperidin-4-yl)indazol-4-yl]-1,3-diazinane-2,4-dione
CID 169195348
tert-butyl 4-[4-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-7-yl]piperazine-1-carboxylate
CID 163231147
1-(1,2-dimethyl-3-piperidin-4-ylindol-7-yl)-1,3-diazinane-2,4-dione
CID 178074037

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione (CID 168870529) is 1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione is Cn1ccc2c(N3CCC(=O)NC3=O)cccc21.
What is the InChIKey of 1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione?
The InChIKey is IQHOHMPZABLWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-15-7-5-9-10(15)3-2-4-11(9)16-8-6-12(17)14-13(16)18/h2-5,7H,6,8H2,1H3,(H,14,17,18).
What are the key properties of 1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione?
1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione has a molecular weight of 243.27 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 168870529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).