5-ethyl-3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione

C24H24N6O4 — CID 43036622

IUPAC5-ethyl-3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCCn1c(=O)c2ccccc2n2c(CN3C(=O)NC(CC)(c4ccc(OC)cc4)C3=O)nnc12
InChIInChI=1S/C24H24N6O4/c1-4-24(15-10-12-16(34-3)13-11-15)21(32)29(23(33)25-24)14-19-26-27-22-28(5-2)20(31)17-8-6-7-9-18(17)30(19)22/h6-13H,4-5,14H2,1-3H3,(H,25,33)
InChIKeyHATARFJCZQIRIO-UHFFFAOYSA-N
MW460.49 g/mol
LogP2.43
Rot. Bonds6

About 5-ethyl-3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione

5-ethyl-3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione (PubChem CID 43036622) has the molecular formula C24H24N6O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is 5-ethyl-3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione
PubChem CID43036622
Molecular FormulaC24H24N6O4
Molecular Weight460.49 g/mol
Exact Mass460.19
IUPAC Name5-ethyl-3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCCn1c(=O)c2ccccc2n2c(CN3C(=O)NC(CC)(c4ccc(OC)cc4)C3=O)nnc12
InChIInChI=1S/C24H24N6O4/c1-4-24(15-10-12-16(34-3)13-11-15)21(32)29(23(33)25-24)14-19-26-27-22-28(5-2)20(31)17-8-6-7-9-18(17)30(19)22/h6-13H,4-5,14H2,1-3H3,(H,25,33)
InChIKeyHATARFJCZQIRIO-UHFFFAOYSA-N
XLogP2.43
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 52.43
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-ethyl-3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione (CID 43036622) is 5-ethyl-3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione is CCn1c(=O)c2ccccc2n2c(CN3C(=O)NC(CC)(c4ccc(OC)cc4)C3=O)nnc12.
What is the InChIKey of 5-ethyl-3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is HATARFJCZQIRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4/c1-4-24(15-10-12-16(34-3)13-11-15)21(32)29(23(33)25-24)14-19-26-27-22-28(5-2)20(31)17-8-6-7-9-18(17)30(19)22/h6-13H,4-5,14H2,1-3H3,(H,25,33).
What are the key properties of 5-ethyl-3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
5-ethyl-3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 460.49 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 43036622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).