3-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one

C20H22N2O4 — CID 2582756

IUPAC3-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one
SMILESCCOc1cccc(OCCOCCn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C20H22N2O4/c1-2-25-16-6-5-7-17(14-16)26-13-12-24-11-10-22-15-21-19-9-4-3-8-18(19)20(22)23/h3-9,14-15H,2,10-13H2,1H3
InChIKeyJGOQNISANJPYCG-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.89
Rot. Bonds9

About 3-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one

3-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one (PubChem CID 2582756) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one
PubChem CID2582756
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one
SMILESCCOc1cccc(OCCOCCn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C20H22N2O4/c1-2-25-16-6-5-7-17(14-16)26-13-12-24-11-10-22-15-21-19-9-4-3-8-18(19)20(22)23/h3-9,14-15H,2,10-13H2,1H3
InChIKeyJGOQNISANJPYCG-UHFFFAOYSA-N
XLogP2.89
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one (CID 2582756) is 3-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one is CCOc1cccc(OCCOCCn2cnc3ccccc3c2=O)c1.
What is the InChIKey of 3-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one?
The InChIKey is JGOQNISANJPYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-2-25-16-6-5-7-17(14-16)26-13-12-24-11-10-22-15-21-19-9-4-3-8-18(19)20(22)23/h3-9,14-15H,2,10-13H2,1H3.
What are the key properties of 3-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one?
3-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one has a molecular weight of 354.41 g/mol, XLogP of 2.89, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one is sourced from PubChem (CID 2582756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).