1-(1H-indol-4-yl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazine-2,4-dione

C24H18N4O3 — CID 175517742

IUPAC1-(1H-indol-4-yl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazine-2,4-dione
SMILESCc1cc(-n2c(=O)ncn(-c3cccc4[nH]ccc34)c2=O)ccc1Oc1ccccc1
InChIInChI=1S/C24H18N4O3/c1-16-14-17(10-11-22(16)31-18-6-3-2-4-7-18)28-23(29)26-15-27(24(28)30)21-9-5-8-20-19(21)12-13-25-20/h2-15,25H,1H3
InChIKeyGMKBNTAFVQLIBV-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.97
Rot. Bonds4

About 1-(1H-indol-4-yl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazine-2,4-dione

1-(1H-indol-4-yl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazine-2,4-dione (PubChem CID 175517742) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is 1-(1H-indol-4-yl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name1-(1H-indol-4-yl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazine-2,4-dione
PubChem CID175517742
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name1-(1H-indol-4-yl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazine-2,4-dione
SMILESCc1cc(-n2c(=O)ncn(-c3cccc4[nH]ccc34)c2=O)ccc1Oc1ccccc1
InChIInChI=1S/C24H18N4O3/c1-16-14-17(10-11-22(16)31-18-6-3-2-4-7-18)28-23(29)26-15-27(24(28)30)21-9-5-8-20-19(21)12-13-25-20/h2-15,25H,1H3
InChIKeyGMKBNTAFVQLIBV-UHFFFAOYSA-N
XLogP3.97
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-yl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazine-2,4-dione?
The IUPAC name of 1-(1H-indol-4-yl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazine-2,4-dione (CID 175517742) is 1-(1H-indol-4-yl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 1-(1H-indol-4-yl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazine-2,4-dione?
The canonical SMILES for 1-(1H-indol-4-yl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazine-2,4-dione is Cc1cc(-n2c(=O)ncn(-c3cccc4[nH]ccc34)c2=O)ccc1Oc1ccccc1.
What is the InChIKey of 1-(1H-indol-4-yl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazine-2,4-dione?
The InChIKey is GMKBNTAFVQLIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c1-16-14-17(10-11-22(16)31-18-6-3-2-4-7-18)28-23(29)26-15-27(24(28)30)21-9-5-8-20-19(21)12-13-25-20/h2-15,25H,1H3.
What are the key properties of 1-(1H-indol-4-yl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazine-2,4-dione?
1-(1H-indol-4-yl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazine-2,4-dione has a molecular weight of 410.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-yl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 175517742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).