2-butyl-6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C23H24N4O2 — CID 53093438

IUPAC2-butyl-6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCCCCc1nc2c3ccccc3n(CC(=O)c3ccc(C)cc3C)c(=O)n2n1
InChIInChI=1S/C23H24N4O2/c1-4-5-10-21-24-22-18-8-6-7-9-19(18)26(23(29)27(22)25-21)14-20(28)17-12-11-15(2)13-16(17)3/h6-9,11-13H,4-5,10,14H2,1-3H3
InChIKeyNFFRKFNXVBAUSA-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.89
Rot. Bonds6

About 2-butyl-6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one

2-butyl-6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 53093438) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-butyl-6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name2-butyl-6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID53093438
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-butyl-6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCCCCc1nc2c3ccccc3n(CC(=O)c3ccc(C)cc3C)c(=O)n2n1
InChIInChI=1S/C23H24N4O2/c1-4-5-10-21-24-22-18-8-6-7-9-19(18)26(23(29)27(22)25-21)14-20(28)17-12-11-15(2)13-16(17)3/h6-9,11-13H,4-5,10,14H2,1-3H3
InChIKeyNFFRKFNXVBAUSA-UHFFFAOYSA-N
XLogP3.89
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-butyl-6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one with MolForge

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Related Compounds

2-butyl-6-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 93070102
ethyl 2-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl]acetate
CID 20875693
6-heptyl-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 70530368
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 45030658
7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-1-ethyl-3-(2-methylphenyl)purine-2,6-dione
CID 42863251
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one
CID 63769538
1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
CID 21420194
7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-1-ethyl-3-(3-methylphenyl)purine-2,6-dione
CID 42863287
2-(butylamino)-1-(2,4-dimethylphenyl)ethanone
CID 82101652
2-indolo[3,2-b]quinoxalin-6-yl-1-(4-methylphenyl)ethanone
CID 43853120
2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone
CID 43219658
N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide
CID 46860920

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 2-butyl-6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 53093438) is 2-butyl-6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 2-butyl-6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 2-butyl-6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one is CCCCc1nc2c3ccccc3n(CC(=O)c3ccc(C)cc3C)c(=O)n2n1.
What is the InChIKey of 2-butyl-6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is NFFRKFNXVBAUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-5-10-21-24-22-18-8-6-7-9-19(18)26(23(29)27(22)25-21)14-20(28)17-12-11-15(2)13-16(17)3/h6-9,11-13H,4-5,10,14H2,1-3H3.
What are the key properties of 2-butyl-6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
2-butyl-6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 388.47 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 53093438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).