3,6-di(propan-2-yl)-1H-quinazoline-2,4-dione

C14H18N2O2 — CID 58748031

IUPAC3,6-di(propan-2-yl)-1H-quinazoline-2,4-dione
SMILESCC(C)c1ccc2[nH]c(=O)n(C(C)C)c(=O)c2c1
InChIInChI=1S/C14H18N2O2/c1-8(2)10-5-6-12-11(7-10)13(17)16(9(3)4)14(18)15-12/h5-9H,1-4H3,(H,15,18)
InChIKeyVBFFGVIXDBJAKS-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.39
Rot. Bonds2

About 3,6-di(propan-2-yl)-1H-quinazoline-2,4-dione

3,6-di(propan-2-yl)-1H-quinazoline-2,4-dione (PubChem CID 58748031) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3,6-di(propan-2-yl)-1H-quinazoline-2,4-dione
PubChem CID58748031
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3,6-di(propan-2-yl)-1H-quinazoline-2,4-dione
SMILESCC(C)c1ccc2[nH]c(=O)n(C(C)C)c(=O)c2c1
InChIInChI=1S/C14H18N2O2/c1-8(2)10-5-6-12-11(7-10)13(17)16(9(3)4)14(18)15-12/h5-9H,1-4H3,(H,15,18)
InChIKeyVBFFGVIXDBJAKS-UHFFFAOYSA-N
XLogP2.39
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione
CID 117261622
3-[(1-ethylsulfonylcyclopropyl)methyl]-6-propan-2-yl-1H-quinazoline-2,4-dione
CID 167865165
5-(2-amino-1-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one
CID 83896659
3-[1-(4-chlorophenyl)ethyl]-1H-quinazoline-2,4-dione
CID 68743777
6-[2-(4-oxo-1H-quinolin-3-yl)propyl]-3-propan-2-yl-1H-quinazoline-2,4-dione
CID 166851535
7-chloro-3-[(1R)-1-(4-chlorophenyl)ethyl]-6-fluoro-1H-quinazoline-2,4-dione
CID 118498703
4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one
CID 83418165
5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one
CID 84708701
3-tert-butyl-6-propan-2-yl-1H-benzimidazol-2-one
CID 71028896
4-[1-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]benzoic acid
CID 66893674
4-methyl-2-oxo-6-propan-2-yl-1H-quinoline-3-carbonitrile
CID 84625061
6-(1-hydroxypropan-2-yl)-3-propan-2-yl-1H-benzimidazol-2-one
CID 117340757

Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3,6-di(propan-2-yl)-1H-quinazoline-2,4-dione (CID 58748031) is 3,6-di(propan-2-yl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3,6-di(propan-2-yl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3,6-di(propan-2-yl)-1H-quinazoline-2,4-dione is CC(C)c1ccc2[nH]c(=O)n(C(C)C)c(=O)c2c1.
What is the InChIKey of 3,6-di(propan-2-yl)-1H-quinazoline-2,4-dione?
The InChIKey is VBFFGVIXDBJAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-8(2)10-5-6-12-11(7-10)13(17)16(9(3)4)14(18)15-12/h5-9H,1-4H3,(H,15,18).
What are the key properties of 3,6-di(propan-2-yl)-1H-quinazoline-2,4-dione?
3,6-di(propan-2-yl)-1H-quinazoline-2,4-dione has a molecular weight of 246.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 58748031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).