2-[6-chloro-7-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]-2,3-dihydro-1H-inden-4-yl]isoindole-1,3-dione

C24H20ClN3O4 — CID 146402670

IUPAC2-[6-chloro-7-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]-2,3-dihydro-1H-inden-4-yl]isoindole-1,3-dione
SMILESCC(C)c1cc(Oc2c(Cl)cc(N3C(=O)c4ccccc4C3=O)c3c2CCC3)n[nH]c1=O
InChIInChI=1S/C24H20ClN3O4/c1-12(2)17-10-20(26-27-22(17)29)32-21-14-9-5-8-13(14)19(11-18(21)25)28-23(30)15-6-3-4-7-16(15)24(28)31/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,27,29)
InChIKeyHNXRCGRNWPFXPS-UHFFFAOYSA-N
MW449.89 g/mol
LogP4.63
Rot. Bonds4

About 2-[6-chloro-7-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]-2,3-dihydro-1H-inden-4-yl]isoindole-1,3-dione

2-[6-chloro-7-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]-2,3-dihydro-1H-inden-4-yl]isoindole-1,3-dione (PubChem CID 146402670) has the molecular formula C24H20ClN3O4 and a molecular weight of 449.89 g/mol. Its IUPAC name is 2-[6-chloro-7-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]-2,3-dihydro-1H-inden-4-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[6-chloro-7-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]-2,3-dihydro-1H-inden-4-yl]isoindole-1,3-dione
PubChem CID146402670
Molecular FormulaC24H20ClN3O4
Molecular Weight449.89 g/mol
Exact Mass449.11
IUPAC Name2-[6-chloro-7-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]-2,3-dihydro-1H-inden-4-yl]isoindole-1,3-dione
SMILESCC(C)c1cc(Oc2c(Cl)cc(N3C(=O)c4ccccc4C3=O)c3c2CCC3)n[nH]c1=O
InChIInChI=1S/C24H20ClN3O4/c1-12(2)17-10-20(26-27-22(17)29)32-21-14-9-5-8-13(14)19(11-18(21)25)28-23(30)15-6-3-4-7-16(15)24(28)31/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,27,29)
InChIKeyHNXRCGRNWPFXPS-UHFFFAOYSA-N
XLogP4.63
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.89
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[6-chloro-7-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]-2,3-dihydro-1H-inden-4-yl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[3-[(8-chloro-5-methyl-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinolin-7-yl)oxy]propyl]isoindole-1,3-dione
CID 58902590
2-[3,5-Dichloro-4-(5-isopropyl-6-oxo-1,6-dihydro-pyridazin-3-yloxy)-phenyl]-isoindole-1,3-dione
CID 59834433
2-[3,5-Dichloro-4-(5-isopropyl-1-methyl-6-oxo-1,6-dihydro-pyridazin-3-yloxy)-phenyl]-isoindole-1,3-dione
CID 59834552
2-[3,5-dichloro-4-[(4-methyl-6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]isoindole-1,3-dione
CID 90933081
2-[3,5-Dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]isoindole-1,3-dione;propane
CID 143395649
2-[3,5-Dichloro-2-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]isoindole-1,3-dione
CID 146402591
2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]isoindole-1,3-dione
CID 146402603
2-[3-[2,6-dichloro-4-(1,3-dioxoisoindol-2-yl)phenoxy]-6-oxo-1H-pyridazin-5-yl]propyl acetate
CID 146402658
2-[3,5-dichloro-4-[[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]isoindole-1,3-dione
CID 146402682
2-[6-chloro-7-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxy-2,3-dihydro-1H-inden-4-yl]isoindole-1,3-dione
CID 146402746
2-[3,5-dichloro-4-[(5-cyclopropyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]isoindole-1,3-dione
CID 146553577
2-[3,5-Dichloro-4-(5-cyclopropyl-1-methyl-6-oxopyridazin-3-yl)oxyphenyl]isoindole-1,3-dione
CID 146553579

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-7-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]-2,3-dihydro-1H-inden-4-yl]isoindole-1,3-dione?
The IUPAC name of 2-[6-chloro-7-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]-2,3-dihydro-1H-inden-4-yl]isoindole-1,3-dione (CID 146402670) is 2-[6-chloro-7-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]-2,3-dihydro-1H-inden-4-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[6-chloro-7-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]-2,3-dihydro-1H-inden-4-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[6-chloro-7-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]-2,3-dihydro-1H-inden-4-yl]isoindole-1,3-dione is CC(C)c1cc(Oc2c(Cl)cc(N3C(=O)c4ccccc4C3=O)c3c2CCC3)n[nH]c1=O.
What is the InChIKey of 2-[6-chloro-7-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]-2,3-dihydro-1H-inden-4-yl]isoindole-1,3-dione?
The InChIKey is HNXRCGRNWPFXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O4/c1-12(2)17-10-20(26-27-22(17)29)32-21-14-9-5-8-13(14)19(11-18(21)25)28-23(30)15-6-3-4-7-16(15)24(28)31/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,27,29).
What are the key properties of 2-[6-chloro-7-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]-2,3-dihydro-1H-inden-4-yl]isoindole-1,3-dione?
2-[6-chloro-7-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]-2,3-dihydro-1H-inden-4-yl]isoindole-1,3-dione has a molecular weight of 449.89 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-7-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]-2,3-dihydro-1H-inden-4-yl]isoindole-1,3-dione is sourced from PubChem (CID 146402670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).