1-(6-fluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione

C13H12FN3O2 — CID 176563503

IUPAC1-(6-fluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione
SMILESCn1ccc2cc(N3CCC(=O)NC3=O)c(F)cc21
InChIInChI=1S/C13H12FN3O2/c1-16-4-2-8-6-11(9(14)7-10(8)16)17-5-3-12(18)15-13(17)19/h2,4,6-7H,3,5H2,1H3,(H,15,18,19)
InChIKeyRHSABQGGCOMEFZ-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.76
Rot. Bonds1

About 1-(6-fluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione

1-(6-fluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione (PubChem CID 176563503) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 1-(6-fluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(6-fluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione
PubChem CID176563503
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name1-(6-fluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione
SMILESCn1ccc2cc(N3CCC(=O)NC3=O)c(F)cc21
InChIInChI=1S/C13H12FN3O2/c1-16-4-2-8-6-11(9(14)7-10(8)16)17-5-3-12(18)15-13(17)19/h2,4,6-7H,3,5H2,1H3,(H,15,18,19)
InChIKeyRHSABQGGCOMEFZ-UHFFFAOYSA-N
XLogP1.76
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,6-difluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione
CID 176562532
1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione
CID 168870529
ethane;1-(2-fluoro-5-methylphenyl)-1,3-diazinane-2,4-dione
CID 167474708
1-(5-fluoro-1H-indol-6-yl)-1,3-diazinane-2,4-dione
CID 163231265
1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione
CID 155261434
1-(1,6-dimethylindol-3-yl)-1,3-diazinane-2,4-dione
CID 154953984
5-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluoro-4-methylbenzaldehyde;methanol
CID 156707032
1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione
CID 167282782
2-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoic acid
CID 175752209
1-[2-fluoro-4-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 171406445
1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride
CID 171705611
1-(5-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione
CID 79777830

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(6-fluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione (CID 176563503) is 1-(6-fluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(6-fluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(6-fluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione is Cn1ccc2cc(N3CCC(=O)NC3=O)c(F)cc21.
What is the InChIKey of 1-(6-fluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione?
The InChIKey is RHSABQGGCOMEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-16-4-2-8-6-11(9(14)7-10(8)16)17-5-3-12(18)15-13(17)19/h2,4,6-7H,3,5H2,1H3,(H,15,18,19).
What are the key properties of 1-(6-fluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione?
1-(6-fluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione has a molecular weight of 261.26 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 176563503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).