1-(1-tert-butyl-4-chloroindol-6-yl)-1,3-diazinane-2,4-dione

C16H18ClN3O2 — CID 175904788

IUPAC1-(1-tert-butyl-4-chloroindol-6-yl)-1,3-diazinane-2,4-dione
SMILESCC(C)(C)n1ccc2c(Cl)cc(N3CCC(=O)NC3=O)cc21
InChIInChI=1S/C16H18ClN3O2/c1-16(2,3)20-7-4-11-12(17)8-10(9-13(11)20)19-6-5-14(21)18-15(19)22/h4,7-9H,5-6H2,1-3H3,(H,18,21,22)
InChIKeyRZRGWJJYZQIESB-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.50
Rot. Bonds1

About 1-(1-tert-butyl-4-chloroindol-6-yl)-1,3-diazinane-2,4-dione

1-(1-tert-butyl-4-chloroindol-6-yl)-1,3-diazinane-2,4-dione (PubChem CID 175904788) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 1-(1-tert-butyl-4-chloroindol-6-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(1-tert-butyl-4-chloroindol-6-yl)-1,3-diazinane-2,4-dione
PubChem CID175904788
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name1-(1-tert-butyl-4-chloroindol-6-yl)-1,3-diazinane-2,4-dione
SMILESCC(C)(C)n1ccc2c(Cl)cc(N3CCC(=O)NC3=O)cc21
InChIInChI=1S/C16H18ClN3O2/c1-16(2,3)20-7-4-11-12(17)8-10(9-13(11)20)19-6-5-14(21)18-15(19)22/h4,7-9H,5-6H2,1-3H3,(H,18,21,22)
InChIKeyRZRGWJJYZQIESB-UHFFFAOYSA-N
XLogP3.50
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-tert-butyl-4-chloroindol-6-yl)-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)benzoic acid
CID 67066254
1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione
CID 168870529
1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione
CID 79776901
1-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
CID 79777682
N-[4-[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]-3-chlorophenyl]methanesulfonamide
CID 71027908
tert-butyl 4-[3-chloro-4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazine-1-carboxylate
CID 175959318
1-(4-iodophenyl)-1,3-diazinane-2,4-dione
CID 73172247
1-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3-diazinane-2,4-dione
CID 170951885
1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione
CID 156707562
1-(5-bromo-2-chlorophenyl)-1,3-diazinane-2,4-dione
CID 79776913
1-[4-(4-propan-2-ylphenyl)phenyl]-1,3-diazinane-2,4-dione
CID 167923462
1-(4,6-difluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione
CID 176562532

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-4-chloroindol-6-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(1-tert-butyl-4-chloroindol-6-yl)-1,3-diazinane-2,4-dione (CID 175904788) is 1-(1-tert-butyl-4-chloroindol-6-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(1-tert-butyl-4-chloroindol-6-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(1-tert-butyl-4-chloroindol-6-yl)-1,3-diazinane-2,4-dione is CC(C)(C)n1ccc2c(Cl)cc(N3CCC(=O)NC3=O)cc21.
What is the InChIKey of 1-(1-tert-butyl-4-chloroindol-6-yl)-1,3-diazinane-2,4-dione?
The InChIKey is RZRGWJJYZQIESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-16(2,3)20-7-4-11-12(17)8-10(9-13(11)20)19-6-5-14(21)18-15(19)22/h4,7-9H,5-6H2,1-3H3,(H,18,21,22).
What are the key properties of 1-(1-tert-butyl-4-chloroindol-6-yl)-1,3-diazinane-2,4-dione?
1-(1-tert-butyl-4-chloroindol-6-yl)-1,3-diazinane-2,4-dione has a molecular weight of 319.79 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-4-chloroindol-6-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 175904788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).