5-methoxy-3'-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C23H20N6O4 — CID 71913144

IUPAC5-methoxy-3'-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)C1(CC2)NC(=O)N(Cc2nnc3n(C)c(=O)c4ccccc4n23)C1=O
InChIInChI=1S/C23H20N6O4/c1-27-19(30)15-5-3-4-6-17(15)29-18(25-26-21(27)29)12-28-20(31)23(24-22(28)32)10-9-13-7-8-14(33-2)11-16(13)23/h3-8,11H,9-10,12H2,1-2H3,(H,24,32)
InChIKeyKSJGBLHTQRQOMB-UHFFFAOYSA-N
MW444.45 g/mol
LogP1.48
Rot. Bonds3

About 5-methoxy-3'-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

5-methoxy-3'-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 71913144) has the molecular formula C23H20N6O4 and a molecular weight of 444.45 g/mol. Its IUPAC name is 5-methoxy-3'-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name5-methoxy-3'-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID71913144
Molecular FormulaC23H20N6O4
Molecular Weight444.45 g/mol
Exact Mass444.15
IUPAC Name5-methoxy-3'-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)C1(CC2)NC(=O)N(Cc2nnc3n(C)c(=O)c4ccccc4n23)C1=O
InChIInChI=1S/C23H20N6O4/c1-27-19(30)15-5-3-4-6-17(15)29-18(25-26-21(27)29)12-28-20(31)23(24-22(28)32)10-9-13-7-8-14(33-2)11-16(13)23/h3-8,11H,9-10,12H2,1-2H3,(H,24,32)
InChIKeyKSJGBLHTQRQOMB-UHFFFAOYSA-N
XLogP1.48
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3'-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 5-methoxy-3'-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 71913144) is 5-methoxy-3'-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 5-methoxy-3'-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 5-methoxy-3'-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is COc1ccc2c(c1)C1(CC2)NC(=O)N(Cc2nnc3n(C)c(=O)c4ccccc4n23)C1=O.
What is the InChIKey of 5-methoxy-3'-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is KSJGBLHTQRQOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O4/c1-27-19(30)15-5-3-4-6-17(15)29-18(25-26-21(27)29)12-28-20(31)23(24-22(28)32)10-9-13-7-8-14(33-2)11-16(13)23/h3-8,11H,9-10,12H2,1-2H3,(H,24,32).
What are the key properties of 5-methoxy-3'-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
5-methoxy-3'-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 444.45 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3'-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 71913144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).