3-(oxolan-3-yl)-1H-quinazoline-2,4-dione

C12H12N2O3 — CID 117260899

IUPAC3-(oxolan-3-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1C1CCOC1
InChIInChI=1S/C12H12N2O3/c15-11-9-3-1-2-4-10(9)13-12(16)14(11)8-5-6-17-7-8/h1-4,8H,5-7H2,(H,13,16)
InChIKeyGJIMKWLKAQBQDU-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.65
Rot. Bonds1

About 3-(oxolan-3-yl)-1H-quinazoline-2,4-dione

3-(oxolan-3-yl)-1H-quinazoline-2,4-dione (PubChem CID 117260899) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(oxolan-3-yl)-1H-quinazoline-2,4-dione
PubChem CID117260899
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-(oxolan-3-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1C1CCOC1
InChIInChI=1S/C12H12N2O3/c15-11-9-3-1-2-4-10(9)13-12(16)14(11)8-5-6-17-7-8/h1-4,8H,5-7H2,(H,13,16)
InChIKeyGJIMKWLKAQBQDU-UHFFFAOYSA-N
XLogP0.65
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-3-yl)-2-sulfanylidene-1H-quinazolin-4-one
CID 80712974
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765
3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261468
3-(oxolan-3-yl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261757
4-methyl-3-(oxolan-3-yl)-1H-benzimidazol-2-one
CID 117208534
3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione
CID 94025623
7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
CID 117261529
5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
CID 117260961
3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 129416598
4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117208712
8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one
CID 118502860
7-chloro-3-(oxolan-3-yl)-1H-benzimidazol-2-one
CID 117206130

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(oxolan-3-yl)-1H-quinazoline-2,4-dione (CID 117260899) is 3-(oxolan-3-yl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(oxolan-3-yl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(oxolan-3-yl)-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1C1CCOC1.
What is the InChIKey of 3-(oxolan-3-yl)-1H-quinazoline-2,4-dione?
The InChIKey is GJIMKWLKAQBQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-11-9-3-1-2-4-10(9)13-12(16)14(11)8-5-6-17-7-8/h1-4,8H,5-7H2,(H,13,16).
What are the key properties of 3-(oxolan-3-yl)-1H-quinazoline-2,4-dione?
3-(oxolan-3-yl)-1H-quinazoline-2,4-dione has a molecular weight of 232.24 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117260899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).