3-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione

C19H18N2O5 — CID 53368485

IUPAC3-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCOc1ccc(C(=O)Cn2c(=O)n(CCO)c(=O)c3ccccc32)cc1
InChIInChI=1S/C19H18N2O5/c1-26-14-8-6-13(7-9-14)17(23)12-21-16-5-3-2-4-15(16)18(24)20(10-11-22)19(21)25/h2-9,22H,10-12H2,1H3
InChIKeyLAUTYZCLXWQLII-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.05
Rot. Bonds6

About 3-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione

3-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione (PubChem CID 53368485) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
PubChem CID53368485
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name3-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCOc1ccc(C(=O)Cn2c(=O)n(CCO)c(=O)c3ccccc32)cc1
InChIInChI=1S/C19H18N2O5/c1-26-14-8-6-13(7-9-14)17(23)12-21-16-5-3-2-4-15(16)18(24)20(10-11-22)19(21)25/h2-9,22H,10-12H2,1H3
InChIKeyLAUTYZCLXWQLII-UHFFFAOYSA-N
XLogP1.05
TPSA90.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione?
The IUPAC name of 3-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione (CID 53368485) is 3-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione is COc1ccc(C(=O)Cn2c(=O)n(CCO)c(=O)c3ccccc32)cc1.
What is the InChIKey of 3-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione?
The InChIKey is LAUTYZCLXWQLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-26-14-8-6-13(7-9-14)17(23)12-21-16-5-3-2-4-15(16)18(24)20(10-11-22)19(21)25/h2-9,22H,10-12H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione?
3-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione has a molecular weight of 354.36 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione is sourced from PubChem (CID 53368485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).