6-[[4-ethoxy-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one

C21H19N7O3 — CID 58040221

IUPAC6-[[4-ethoxy-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESCCOc1nc(Nc2ccc3c(c2)NC(=O)C3)nc(Nc2ccc3c(c2)NC(=O)C3)n1
InChIInChI=1S/C21H19N7O3/c1-2-31-21-27-19(22-13-5-3-11-7-17(29)24-15(11)9-13)26-20(28-21)23-14-6-4-12-8-18(30)25-16(12)10-14/h3-6,9-10H,2,7-8H2,1H3,(H,24,29)(H,25,30)(H2,22,23,26,27,28)
InChIKeyJDWDVOPKUSAKQW-UHFFFAOYSA-N
MW417.43 g/mol
LogP2.75
Rot. Bonds6

About 6-[[4-ethoxy-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one

6-[[4-ethoxy-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one (PubChem CID 58040221) has the molecular formula C21H19N7O3 and a molecular weight of 417.43 g/mol. Its IUPAC name is 6-[[4-ethoxy-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[[4-ethoxy-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
PubChem CID58040221
Molecular FormulaC21H19N7O3
Molecular Weight417.43 g/mol
Exact Mass417.15
IUPAC Name6-[[4-ethoxy-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESCCOc1nc(Nc2ccc3c(c2)NC(=O)C3)nc(Nc2ccc3c(c2)NC(=O)C3)n1
InChIInChI=1S/C21H19N7O3/c1-2-31-21-27-19(22-13-5-3-11-7-17(29)24-15(11)9-13)26-20(28-21)23-14-6-4-12-8-18(30)25-16(12)10-14/h3-6,9-10H,2,7-8H2,1H3,(H,24,29)(H,25,30)(H2,22,23,26,27,28)
InChIKeyJDWDVOPKUSAKQW-UHFFFAOYSA-N
XLogP2.75
TPSA130.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-[[4-ethoxy-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

6-[[4-(Cyclohexylmethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
CID 58039450
6-[[4-(Benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
CID 58039456
6-[[4-[(4-Chlorophenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
CID 58039489
6-[[4-[(4-Fluorophenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
CID 58039920
CID 58040151
CID 58040151
CID 58039746
CID 58039746
CID 58152938
CID 58152938
5-[[4-[2-(2-Aminoethylamino)ethylamino]-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 58325567
3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-phenyl-1H-indol-2-one
CID 67982690
6-[[4,6-Bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
CID 159709151
5-[[4-(Ethylamino)-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 123867027
6-[[4-[(2-Oxo-1,3-dihydroindol-6-yl)amino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
CID 157664695

Frequently Asked Questions

What is the IUPAC name of 6-[[4-ethoxy-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[[4-ethoxy-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one (CID 58040221) is 6-[[4-ethoxy-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[[4-ethoxy-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[[4-ethoxy-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one is CCOc1nc(Nc2ccc3c(c2)NC(=O)C3)nc(Nc2ccc3c(c2)NC(=O)C3)n1.
What is the InChIKey of 6-[[4-ethoxy-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
The InChIKey is JDWDVOPKUSAKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O3/c1-2-31-21-27-19(22-13-5-3-11-7-17(29)24-15(11)9-13)26-20(28-21)23-14-6-4-12-8-18(30)25-16(12)10-14/h3-6,9-10H,2,7-8H2,1H3,(H,24,29)(H,25,30)(H2,22,23,26,27,28).
What are the key properties of 6-[[4-ethoxy-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
6-[[4-ethoxy-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one has a molecular weight of 417.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-ethoxy-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 58040221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).