3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one

C12H14N2O3 — CID 39805269

IUPAC3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CCOCCO
InChIInChI=1S/C12H14N2O3/c15-6-8-17-7-5-14-9-13-11-4-2-1-3-10(11)12(14)16/h1-4,9,15H,5-8H2
InChIKeyBASODQYGMXUULL-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.41
Rot. Bonds5

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

3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one (PubChem CID 39805269) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one
PubChem CID39805269
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CCOCCO
InChIInChI=1S/C12H14N2O3/c15-6-8-17-7-5-14-9-13-11-4-2-1-3-10(11)12(14)16/h1-4,9,15H,5-8H2
InChIKeyBASODQYGMXUULL-UHFFFAOYSA-N
XLogP0.41
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one
CID 2216206
methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate
CID 2216531
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-propylquinazolin-4-one
CID 529124
3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 39754273
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate
CID 30337827
3-[2-(2,6-dibromo-4-methylphenoxy)ethyl]quinazolin-4-one
CID 16614122
2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate
CID 30338221
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878
3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one
CID 973535

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one (CID 39805269) is 3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one is O=c1c2ccccc2ncn1CCOCCO.
What is the InChIKey of 3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one?
The InChIKey is BASODQYGMXUULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-6-8-17-7-5-14-9-13-11-4-2-1-3-10(11)12(14)16/h1-4,9,15H,5-8H2.
What are the key properties of 3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one?
3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one has a molecular weight of 234.25 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one is sourced from PubChem (CID 39805269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).