3-(2-methylpropyl)-7,8-dihydro-1H-quinazoline-2,4-dione

C12H16N2O2 — CID 143872757

IUPAC3-(2-methylpropyl)-7,8-dihydro-1H-quinazoline-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]c2c(c1=O)C=CCC2
InChIInChI=1S/C12H16N2O2/c1-8(2)7-14-11(15)9-5-3-4-6-10(9)13-12(14)16/h3,5,8H,4,6-7H2,1-2H3,(H,13,16)
InChIKeyWUCOHCFISARKPS-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.15
Rot. Bonds2

About 3-(2-methylpropyl)-7,8-dihydro-1H-quinazoline-2,4-dione

3-(2-methylpropyl)-7,8-dihydro-1H-quinazoline-2,4-dione (PubChem CID 143872757) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(2-methylpropyl)-7,8-dihydro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-methylpropyl)-7,8-dihydro-1H-quinazoline-2,4-dione
PubChem CID143872757
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(2-methylpropyl)-7,8-dihydro-1H-quinazoline-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]c2c(c1=O)C=CCC2
InChIInChI=1S/C12H16N2O2/c1-8(2)7-14-11(15)9-5-3-4-6-10(9)13-12(14)16/h3,5,8H,4,6-7H2,1-2H3,(H,13,16)
InChIKeyWUCOHCFISARKPS-UHFFFAOYSA-N
XLogP1.15
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-7,8-dihydro-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(2-methylpropyl)-7,8-dihydro-1H-quinazoline-2,4-dione (CID 143872757) is 3-(2-methylpropyl)-7,8-dihydro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(2-methylpropyl)-7,8-dihydro-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(2-methylpropyl)-7,8-dihydro-1H-quinazoline-2,4-dione is CC(C)Cn1c(=O)[nH]c2c(c1=O)C=CCC2.
What is the InChIKey of 3-(2-methylpropyl)-7,8-dihydro-1H-quinazoline-2,4-dione?
The InChIKey is WUCOHCFISARKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(2)7-14-11(15)9-5-3-4-6-10(9)13-12(14)16/h3,5,8H,4,6-7H2,1-2H3,(H,13,16).
What are the key properties of 3-(2-methylpropyl)-7,8-dihydro-1H-quinazoline-2,4-dione?
3-(2-methylpropyl)-7,8-dihydro-1H-quinazoline-2,4-dione has a molecular weight of 220.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-7,8-dihydro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 143872757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).