3-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one

C20H22N2O5 — CID 2216206

IUPAC3-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one
SMILESCOc1cccc(OC)c1OCCOCCn1cnc2ccccc2c1=O
InChIInChI=1S/C20H22N2O5/c1-24-17-8-5-9-18(25-2)19(17)27-13-12-26-11-10-22-14-21-16-7-4-3-6-15(16)20(22)23/h3-9,14H,10-13H2,1-2H3
InChIKeyDQNCBGXEKSPGIH-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.51
Rot. Bonds9

About 3-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one

3-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one (PubChem CID 2216206) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one
PubChem CID2216206
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name3-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one
SMILESCOc1cccc(OC)c1OCCOCCn1cnc2ccccc2c1=O
InChIInChI=1S/C20H22N2O5/c1-24-17-8-5-9-18(25-2)19(17)27-13-12-26-11-10-22-14-21-16-7-4-3-6-15(16)20(22)23/h3-9,14H,10-13H2,1-2H3
InChIKeyDQNCBGXEKSPGIH-UHFFFAOYSA-N
XLogP2.51
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(2,6-dimethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one (CID 2216206) is 3-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one is COc1cccc(OC)c1OCCOCCn1cnc2ccccc2c1=O.
What is the InChIKey of 3-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one?
The InChIKey is DQNCBGXEKSPGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-24-17-8-5-9-18(25-2)19(17)27-13-12-26-11-10-22-14-21-16-7-4-3-6-15(16)20(22)23/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 3-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one?
3-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one has a molecular weight of 370.41 g/mol, XLogP of 2.51, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one is sourced from PubChem (CID 2216206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).