1-(dibenzofuran-2-yloxymethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C24H18N4O3 — CID 34061078

IUPAC1-(dibenzofuran-2-yloxymethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCn1c(=O)c2ccccc2n2c(COc3ccc4oc5ccccc5c4c3)nnc12
InChIInChI=1S/C24H18N4O3/c1-2-27-23(29)17-8-3-5-9-19(17)28-22(25-26-24(27)28)14-30-15-11-12-21-18(13-15)16-7-4-6-10-20(16)31-21/h3-13H,2,14H2,1H3
InChIKeyYLMPIDYHEFYVBJ-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.54
Rot. Bonds4

About 1-(dibenzofuran-2-yloxymethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

1-(dibenzofuran-2-yloxymethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 34061078) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is 1-(dibenzofuran-2-yloxymethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name1-(dibenzofuran-2-yloxymethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID34061078
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name1-(dibenzofuran-2-yloxymethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCn1c(=O)c2ccccc2n2c(COc3ccc4oc5ccccc5c4c3)nnc12
InChIInChI=1S/C24H18N4O3/c1-2-27-23(29)17-8-3-5-9-19(17)28-22(25-26-24(27)28)14-30-15-11-12-21-18(13-15)16-7-4-6-10-20(16)31-21/h3-13H,2,14H2,1H3
InChIKeyYLMPIDYHEFYVBJ-UHFFFAOYSA-N
XLogP4.54
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(dibenzofuran-2-yloxymethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one with MolForge

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Related Compounds

4-ethyl-1-[(4-phenylmethoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 38773044
4-ethyl-1-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxymethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 25333534
1-[(3-acetylphenoxy)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 34061650
1-[(2,3-dimethylphenoxy)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 38773071
2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-4-methylbenzamide
CID 38773091
4-ethyl-1-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 55464772
methyl (E)-3-[4-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-3-methoxyphenyl]prop-2-enoate
CID 34062538
methyl 4-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-3-nitrobenzoate
CID 36642499
4-ethyl-1-[[methyl(naphthalen-2-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 78818356
N-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-2-methyl-2-phenylpropanamide
CID 56539727
4-ethyl-1-[(2-fluoroanilino)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 51224826
3,7-dibutyl-1-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]purine-2,6-dione
CID 36759312

Frequently Asked Questions

What is the IUPAC name of 1-(dibenzofuran-2-yloxymethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 1-(dibenzofuran-2-yloxymethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 34061078) is 1-(dibenzofuran-2-yloxymethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 1-(dibenzofuran-2-yloxymethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 1-(dibenzofuran-2-yloxymethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CCn1c(=O)c2ccccc2n2c(COc3ccc4oc5ccccc5c4c3)nnc12.
What is the InChIKey of 1-(dibenzofuran-2-yloxymethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is YLMPIDYHEFYVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c1-2-27-23(29)17-8-3-5-9-19(17)28-22(25-26-24(27)28)14-30-15-11-12-21-18(13-15)16-7-4-6-10-20(16)31-21/h3-13H,2,14H2,1H3.
What are the key properties of 1-(dibenzofuran-2-yloxymethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
1-(dibenzofuran-2-yloxymethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 410.43 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibenzofuran-2-yloxymethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 34061078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).