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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Related Compounds

3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one
CID 39805269
methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate
CID 2216531
3-propylquinazolin-4-one
CID 529124
3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one
CID 973373
3-[4-(2-methoxyphenoxy)but-2-ynyl]quinazolin-4-one
CID 2961330
3-[2-(2,6-dibromo-4-methylphenoxy)ethyl]quinazolin-4-one
CID 16614122
3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one
CID 973535
N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 134041947
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 90575511
3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one
CID 973494
3-[3-(3-methylphenoxy)propyl]quinazolin-4-one
CID 30466913

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).