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

C25H22N4O3 — CID 38773044

IUPAC4-ethyl-1-[(4-phenylmethoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCn1c(=O)c2ccccc2n2c(COc3ccc(OCc4ccccc4)cc3)nnc12
InChIInChI=1S/C25H22N4O3/c1-2-28-24(30)21-10-6-7-11-22(21)29-23(26-27-25(28)29)17-32-20-14-12-19(13-15-20)31-16-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3
InChIKeyWVVACWDLDPUXCO-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.22
Rot. Bonds7

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

4-ethyl-1-[(4-phenylmethoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 38773044) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 4-ethyl-1-[(4-phenylmethoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name4-ethyl-1-[(4-phenylmethoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID38773044
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name4-ethyl-1-[(4-phenylmethoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCn1c(=O)c2ccccc2n2c(COc3ccc(OCc4ccccc4)cc3)nnc12
InChIInChI=1S/C25H22N4O3/c1-2-28-24(30)21-10-6-7-11-22(21)29-23(26-27-25(28)29)17-32-20-14-12-19(13-15-20)31-16-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3
InChIKeyWVVACWDLDPUXCO-UHFFFAOYSA-N
XLogP4.22
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-(dibenzofuran-2-yloxymethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 34061078
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-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxymethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 25333534
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
methyl 4-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-3-nitrobenzoate
CID 36642499
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
4-ethyl-1-[[methyl(naphthalen-2-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 78818356
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
1-(chloromethyl)-4-pentyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2090922

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(4-phenylmethoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 4-ethyl-1-[(4-phenylmethoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 38773044) is 4-ethyl-1-[(4-phenylmethoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 4-ethyl-1-[(4-phenylmethoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 4-ethyl-1-[(4-phenylmethoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CCn1c(=O)c2ccccc2n2c(COc3ccc(OCc4ccccc4)cc3)nnc12.
What is the InChIKey of 4-ethyl-1-[(4-phenylmethoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is WVVACWDLDPUXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-2-28-24(30)21-10-6-7-11-22(21)29-23(26-27-25(28)29)17-32-20-14-12-19(13-15-20)31-16-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3.
What are the key properties of 4-ethyl-1-[(4-phenylmethoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
4-ethyl-1-[(4-phenylmethoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 426.48 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(4-phenylmethoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 38773044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).