3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione

C13H14N2O3 — CID 94025623

IUPAC3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1C[C@H]1CCOC1
InChIInChI=1S/C13H14N2O3/c16-12-10-3-1-2-4-11(10)14-13(17)15(12)7-9-5-6-18-8-9/h1-4,9H,5-8H2,(H,14,17)/t9-/m1/s1
InChIKeyVDUKRMWGIQDUBG-SECBINFHSA-N
MW246.27 g/mol
LogP0.73
Rot. Bonds2

About 3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione

3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione (PubChem CID 94025623) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione
PubChem CID94025623
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1C[C@H]1CCOC1
InChIInChI=1S/C13H14N2O3/c16-12-10-3-1-2-4-11(10)14-13(17)15(12)7-9-5-6-18-8-9/h1-4,9H,5-8H2,(H,14,17)/t9-/m1/s1
InChIKeyVDUKRMWGIQDUBG-SECBINFHSA-N
XLogP0.73
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117206200
3-[(3-hydroxycyclohexyl)methyl]-1H-quinazoline-2,4-dione
CID 111466203
3-(oxolan-3-yl)-1H-quinazoline-2,4-dione
CID 117260899
3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1H-quinazoline-2,4-dione
CID 51076095
2-(chloromethyl)-3-(oxolan-3-ylmethyl)quinazolin-4-one
CID 62823318
6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione
CID 115947976
tert-butyl 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]piperidine-1-carboxylate
CID 121374314
N-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide
CID 4907682
lithium;4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxylic acid;methyl 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxylate;hydroxide
CID 158566763
3-[3-[(3S)-oxolan-3-yl]oxypropyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 99626028
3-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-1H-quinazoline-2,4-dione
CID 19001789
3-(oxolan-3-yl)-2-sulfanylidene-1H-quinazolin-4-one
CID 80712974

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione (CID 94025623) is 3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1C[C@H]1CCOC1.
What is the InChIKey of 3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione?
The InChIKey is VDUKRMWGIQDUBG-SECBINFHSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-12-10-3-1-2-4-11(10)14-13(17)15(12)7-9-5-6-18-8-9/h1-4,9H,5-8H2,(H,14,17)/t9-/m1/s1.
What are the key properties of 3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione?
3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione has a molecular weight of 246.27 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 94025623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).