3-(2-ethyl-2-hydroxybutyl)-1H-quinazoline-2,4-dione

C14H18N2O3 — CID 47475418

IUPAC3-(2-ethyl-2-hydroxybutyl)-1H-quinazoline-2,4-dione
SMILESCCC(O)(CC)Cn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C14H18N2O3/c1-3-14(19,4-2)9-16-12(17)10-7-5-6-8-11(10)15-13(16)18/h5-8,19H,3-4,9H2,1-2H3,(H,15,18)
InChIKeyXXXFHIUHZDFTEQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.24
Rot. Bonds4

About 3-(2-ethyl-2-hydroxybutyl)-1H-quinazoline-2,4-dione

3-(2-ethyl-2-hydroxybutyl)-1H-quinazoline-2,4-dione (PubChem CID 47475418) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(2-ethyl-2-hydroxybutyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-ethyl-2-hydroxybutyl)-1H-quinazoline-2,4-dione
PubChem CID47475418
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-(2-ethyl-2-hydroxybutyl)-1H-quinazoline-2,4-dione
SMILESCCC(O)(CC)Cn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C14H18N2O3/c1-3-14(19,4-2)9-16-12(17)10-7-5-6-8-11(10)15-13(16)18/h5-8,19H,3-4,9H2,1-2H3,(H,15,18)
InChIKeyXXXFHIUHZDFTEQ-UHFFFAOYSA-N
XLogP1.24
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione
CID 69471578
acetic acid;3-pentyl-1H-quinazoline-2,4-dione
CID 67872693
2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl 2,2-dimethylbutanoate
CID 59779886
N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 119570994
3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione
CID 15165577
3-[2-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyldisulfanyl]ethyl]-1H-quinazoline-2,4-dione
CID 10411093
2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic acid
CID 119192243
N-(2-amino-2-methylpropyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119629138
3-(3-chlorobutyl)-1H-quinazoline-2,4-dione
CID 118691448
2-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]oxyethyl-diethyl-methylazanium iodide
CID 18527687
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide
CID 119103654
3-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-1H-quinazoline-2,4-dione
CID 3030727

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-2-hydroxybutyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(2-ethyl-2-hydroxybutyl)-1H-quinazoline-2,4-dione (CID 47475418) is 3-(2-ethyl-2-hydroxybutyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(2-ethyl-2-hydroxybutyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(2-ethyl-2-hydroxybutyl)-1H-quinazoline-2,4-dione is CCC(O)(CC)Cn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-(2-ethyl-2-hydroxybutyl)-1H-quinazoline-2,4-dione?
The InChIKey is XXXFHIUHZDFTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-14(19,4-2)9-16-12(17)10-7-5-6-8-11(10)15-13(16)18/h5-8,19H,3-4,9H2,1-2H3,(H,15,18).
What are the key properties of 3-(2-ethyl-2-hydroxybutyl)-1H-quinazoline-2,4-dione?
3-(2-ethyl-2-hydroxybutyl)-1H-quinazoline-2,4-dione has a molecular weight of 262.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-2-hydroxybutyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 47475418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).