3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione

C16H14N2O3 — CID 139951410

IUPAC3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1COCc1ccccc1
InChIInChI=1S/C16H14N2O3/c19-15-13-8-4-5-9-14(13)17-16(20)18(15)11-21-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,20)
InChIKeyUOEUVGGUKBMSPF-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.86
Rot. Bonds4

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

3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione (PubChem CID 139951410) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione
PubChem CID139951410
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1COCc1ccccc1
InChIInChI=1S/C16H14N2O3/c19-15-13-8-4-5-9-14(13)17-16(20)18(15)11-21-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,20)
InChIKeyUOEUVGGUKBMSPF-UHFFFAOYSA-N
XLogP1.86
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione (CID 139951410) is 3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1COCc1ccccc1.
What is the InChIKey of 3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione?
The InChIKey is UOEUVGGUKBMSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15-13-8-4-5-9-14(13)17-16(20)18(15)11-21-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,20).
What are the key properties of 3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione?
3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione has a molecular weight of 282.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 139951410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).