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

C23H19N7O3 — CID 160703504

IUPAC6-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(Nc3nc(Nc4ccc(O)cc4)nc(Nc4ccc(O)cc4)n3)cc2N1
InChIInChI=1S/C23H19N7O3/c31-17-7-3-14(4-8-17)24-21-28-22(25-15-5-9-18(32)10-6-15)30-23(29-21)26-16-2-1-13-11-20(33)27-19(13)12-16/h1-10,12,31-32H,11H2,(H,27,33)(H3,24,25,26,28,29,30)
InChIKeyZMVSNOOIRWWVBI-UHFFFAOYSA-N
MW441.45 g/mol
LogP4.01
Rot. Bonds6

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

6-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one (PubChem CID 160703504) has the molecular formula C23H19N7O3 and a molecular weight of 441.45 g/mol. Its IUPAC name is 6-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
PubChem CID160703504
Molecular FormulaC23H19N7O3
Molecular Weight441.45 g/mol
Exact Mass441.15
IUPAC Name6-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(Nc3nc(Nc4ccc(O)cc4)nc(Nc4ccc(O)cc4)n3)cc2N1
InChIInChI=1S/C23H19N7O3/c31-17-7-3-14(4-8-17)24-21-28-22(25-15-5-9-18(32)10-6-15)30-23(29-21)26-16-2-1-13-11-20(33)27-19(13)12-16/h1-10,12,31-32H,11H2,(H,27,33)(H3,24,25,26,28,29,30)
InChIKeyZMVSNOOIRWWVBI-UHFFFAOYSA-N
XLogP4.01
TPSA144.32 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 54.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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

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Related Compounds

6-[[4-tert-butyl-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
CID 161285312
6-[(4-anilino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]-1,3-dihydroindol-2-one
CID 158324489
6-(4-hydroxyphenyl)-1,3-dihydroindol-2-one
CID 68878128
6-(3-aminoanilino)-1,3-dihydroindol-2-one
CID 59397049
5-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 146542596
1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea
CID 165032229
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797937
2-hydroxy-4-[(8-oxo-3-thia-7,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-yl)amino]phenolate
CID 163637578
6-[[4-[3-(methylamino)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 157275377
N-[(2-oxo-1,3-dihydroindol-6-yl)carbamoyl]benzamide
CID 165033132
6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 58910717
2-oxo-1,3-dihydroindole-6-carbonyl chloride
CID 141361971

Frequently Asked Questions

What is the IUPAC name of 6-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one (CID 160703504) is 6-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one is O=C1Cc2ccc(Nc3nc(Nc4ccc(O)cc4)nc(Nc4ccc(O)cc4)n3)cc2N1.
What is the InChIKey of 6-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
The InChIKey is ZMVSNOOIRWWVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O3/c31-17-7-3-14(4-8-17)24-21-28-22(25-15-5-9-18(32)10-6-15)30-23(29-21)26-16-2-1-13-11-20(33)27-19(13)12-16/h1-10,12,31-32H,11H2,(H,27,33)(H3,24,25,26,28,29,30).
What are the key properties of 6-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
6-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one has a molecular weight of 441.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 160703504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).