1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione

C17H16N2O3 — CID 53370489

IUPAC1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2ccccc2)c(=O)n1CCO
InChIInChI=1S/C17H16N2O3/c20-11-10-18-16(21)14-8-4-5-9-15(14)19(17(18)22)12-13-6-2-1-3-7-13/h1-9,20H,10-12H2
InChIKeyFLBJRWYWDOYQQT-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.20
Rot. Bonds4

About 1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione

1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione (PubChem CID 53370489) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione
PubChem CID53370489
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2ccccc2)c(=O)n1CCO
InChIInChI=1S/C17H16N2O3/c20-11-10-18-16(21)14-8-4-5-9-15(14)19(17(18)22)12-13-6-2-1-3-7-13/h1-9,20H,10-12H2
InChIKeyFLBJRWYWDOYQQT-UHFFFAOYSA-N
XLogP1.20
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione?
The IUPAC name of 1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione (CID 53370489) is 1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione.
What is the SMILES notation for 1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione?
The canonical SMILES for 1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione is O=c1c2ccccc2n(Cc2ccccc2)c(=O)n1CCO.
What is the InChIKey of 1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione?
The InChIKey is FLBJRWYWDOYQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-11-10-18-16(21)14-8-4-5-9-15(14)19(17(18)22)12-13-6-2-1-3-7-13/h1-9,20H,10-12H2.
What are the key properties of 1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione?
1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione has a molecular weight of 296.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione is sourced from PubChem (CID 53370489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).