3-(oxolan-2-ylmethyl)-1-phenacylquinazoline-2,4-dione

C21H20N2O4 — CID 3245606

IUPAC3-(oxolan-2-ylmethyl)-1-phenacylquinazoline-2,4-dione
SMILESO=C(Cn1c(=O)n(CC2CCCO2)c(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C21H20N2O4/c24-19(15-7-2-1-3-8-15)14-22-18-11-5-4-10-17(18)20(25)23(21(22)26)13-16-9-6-12-27-16/h1-5,7-8,10-11,16H,6,9,12-14H2
InChIKeyWSAUNOPVRDDFBO-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.23
Rot. Bonds5

About 3-(oxolan-2-ylmethyl)-1-phenacylquinazoline-2,4-dione

3-(oxolan-2-ylmethyl)-1-phenacylquinazoline-2,4-dione (PubChem CID 3245606) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)-1-phenacylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)-1-phenacylquinazoline-2,4-dione
PubChem CID3245606
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name3-(oxolan-2-ylmethyl)-1-phenacylquinazoline-2,4-dione
SMILESO=C(Cn1c(=O)n(CC2CCCO2)c(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C21H20N2O4/c24-19(15-7-2-1-3-8-15)14-22-18-11-5-4-10-17(18)20(25)23(21(22)26)13-16-9-6-12-27-16/h1-5,7-8,10-11,16H,6,9,12-14H2
InChIKeyWSAUNOPVRDDFBO-UHFFFAOYSA-N
XLogP2.23
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)-1-phenacylquinazoline-2,4-dione?
The IUPAC name of 3-(oxolan-2-ylmethyl)-1-phenacylquinazoline-2,4-dione (CID 3245606) is 3-(oxolan-2-ylmethyl)-1-phenacylquinazoline-2,4-dione.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)-1-phenacylquinazoline-2,4-dione?
The canonical SMILES for 3-(oxolan-2-ylmethyl)-1-phenacylquinazoline-2,4-dione is O=C(Cn1c(=O)n(CC2CCCO2)c(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of 3-(oxolan-2-ylmethyl)-1-phenacylquinazoline-2,4-dione?
The InChIKey is WSAUNOPVRDDFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-19(15-7-2-1-3-8-15)14-22-18-11-5-4-10-17(18)20(25)23(21(22)26)13-16-9-6-12-27-16/h1-5,7-8,10-11,16H,6,9,12-14H2.
What are the key properties of 3-(oxolan-2-ylmethyl)-1-phenacylquinazoline-2,4-dione?
3-(oxolan-2-ylmethyl)-1-phenacylquinazoline-2,4-dione has a molecular weight of 364.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethyl)-1-phenacylquinazoline-2,4-dione is sourced from PubChem (CID 3245606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).