1-(1,2-dimethyl-3-propan-2-ylindol-7-yl)-1,3-diazinane-2,4-dione

C17H21N3O2 — CID 176562040

IUPAC1-(1,2-dimethyl-3-propan-2-ylindol-7-yl)-1,3-diazinane-2,4-dione
SMILESCc1c(C(C)C)c2cccc(N3CCC(=O)NC3=O)c2n1C
InChIInChI=1S/C17H21N3O2/c1-10(2)15-11(3)19(4)16-12(15)6-5-7-13(16)20-9-8-14(21)18-17(20)22/h5-7,10H,8-9H2,1-4H3,(H,18,21,22)
InChIKeyWQUHWBCELNRJJD-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.06
Rot. Bonds2

About 1-(1,2-dimethyl-3-propan-2-ylindol-7-yl)-1,3-diazinane-2,4-dione

1-(1,2-dimethyl-3-propan-2-ylindol-7-yl)-1,3-diazinane-2,4-dione (PubChem CID 176562040) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(1,2-dimethyl-3-propan-2-ylindol-7-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(1,2-dimethyl-3-propan-2-ylindol-7-yl)-1,3-diazinane-2,4-dione
PubChem CID176562040
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(1,2-dimethyl-3-propan-2-ylindol-7-yl)-1,3-diazinane-2,4-dione
SMILESCc1c(C(C)C)c2cccc(N3CCC(=O)NC3=O)c2n1C
InChIInChI=1S/C17H21N3O2/c1-10(2)15-11(3)19(4)16-12(15)6-5-7-13(16)20-9-8-14(21)18-17(20)22/h5-7,10H,8-9H2,1-4H3,(H,18,21,22)
InChIKeyWQUHWBCELNRJJD-UHFFFAOYSA-N
XLogP3.06
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethyl-3-propan-2-ylindol-7-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(1,2-dimethyl-3-propan-2-ylindol-7-yl)-1,3-diazinane-2,4-dione (CID 176562040) is 1-(1,2-dimethyl-3-propan-2-ylindol-7-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(1,2-dimethyl-3-propan-2-ylindol-7-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(1,2-dimethyl-3-propan-2-ylindol-7-yl)-1,3-diazinane-2,4-dione is Cc1c(C(C)C)c2cccc(N3CCC(=O)NC3=O)c2n1C.
What is the InChIKey of 1-(1,2-dimethyl-3-propan-2-ylindol-7-yl)-1,3-diazinane-2,4-dione?
The InChIKey is WQUHWBCELNRJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-10(2)15-11(3)19(4)16-12(15)6-5-7-13(16)20-9-8-14(21)18-17(20)22/h5-7,10H,8-9H2,1-4H3,(H,18,21,22).
What are the key properties of 1-(1,2-dimethyl-3-propan-2-ylindol-7-yl)-1,3-diazinane-2,4-dione?
1-(1,2-dimethyl-3-propan-2-ylindol-7-yl)-1,3-diazinane-2,4-dione has a molecular weight of 299.37 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethyl-3-propan-2-ylindol-7-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 176562040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).