3-(2-methoxyethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one

C19H20N2O3S — CID 2082259

IUPAC3-(2-methoxyethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one
SMILESCOCCn1c(SCCOc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C19H20N2O3S/c1-23-12-11-21-18(22)16-9-5-6-10-17(16)20-19(21)25-14-13-24-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyZHZQZJOLQPGTIN-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.21
Rot. Bonds8

About 3-(2-methoxyethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one

3-(2-methoxyethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one (PubChem CID 2082259) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one
PubChem CID2082259
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name3-(2-methoxyethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one
SMILESCOCCn1c(SCCOc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C19H20N2O3S/c1-23-12-11-21-18(22)16-9-5-6-10-17(16)20-19(21)25-14-13-24-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyZHZQZJOLQPGTIN-UHFFFAOYSA-N
XLogP3.21
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.21
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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Related Compounds

3-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile
CID 8833695
2-[3-(4-fluorophenoxy)propylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 112776655
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one
CID 3483877
2-[2-(4-methylphenoxy)ethylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 7227057
2-[3-(3,4-dimethylphenoxy)propylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 55604306
2-(2-phenoxyethylsulfanyl)-3-phenylquinazolin-4-one
CID 3967996
2-[2-(4-bromophenoxy)ethylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one
CID 3365241
3-benzyl-2-(3-phenoxypropylsulfanyl)quinazolin-4-one
CID 7626724
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole
CID 112775589
2-[2-(4-methylphenoxy)ethylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 4817925
N'-[2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]benzohydrazide
CID 2610566
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-one
CID 7868999

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one (CID 2082259) is 3-(2-methoxyethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one is COCCn1c(SCCOc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one?
The InChIKey is ZHZQZJOLQPGTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-23-12-11-21-18(22)16-9-5-6-10-17(16)20-19(21)25-14-13-24-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one?
3-(2-methoxyethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one has a molecular weight of 356.45 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one is sourced from PubChem (CID 2082259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).