2-(2-naphthalen-1-yloxyethylsulfanyl)-3H-quinazolin-4-one

C20H16N2O2S — CID 135460544

IUPAC2-(2-naphthalen-1-yloxyethylsulfanyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(SCCOc2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C20H16N2O2S/c23-19-16-9-3-4-10-17(16)21-20(22-19)25-13-12-24-18-11-5-7-14-6-1-2-8-15(14)18/h1-11H,12-13H2,(H,21,22,23)
InChIKeyNBEATQUIIJPQEV-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.25
Rot. Bonds5

About 2-(2-naphthalen-1-yloxyethylsulfanyl)-3H-quinazolin-4-one

2-(2-naphthalen-1-yloxyethylsulfanyl)-3H-quinazolin-4-one (PubChem CID 135460544) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-(2-naphthalen-1-yloxyethylsulfanyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-naphthalen-1-yloxyethylsulfanyl)-3H-quinazolin-4-one
PubChem CID135460544
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name2-(2-naphthalen-1-yloxyethylsulfanyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(SCCOc2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C20H16N2O2S/c23-19-16-9-3-4-10-17(16)21-20(22-19)25-13-12-24-18-11-5-7-14-6-1-2-8-15(14)18/h1-11H,12-13H2,(H,21,22,23)
InChIKeyNBEATQUIIJPQEV-UHFFFAOYSA-N
XLogP4.25
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyphenoxy)ethylsulfanyl]-3H-quinazolin-4-one
CID 135449239
2-(2-naphthalen-1-yloxyethylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 23411501
4-[3-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propoxy]benzoic acid
CID 136923374
2-hexylsulfanyl-3H-quinazolin-4-one
CID 135492059
2-heptylsulfanyl-3H-quinazolin-4-one
CID 135464963
2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-quinazolin-4-one
CID 135514004
2-[(4-phenylphenyl)methylsulfanyl]-3H-quinazolin-4-one
CID 162676807
N-(2-methoxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135518456
2-[2-(2-propan-2-ylphenoxy)ethylsulfanyl]-1H-benzimidazole
CID 45007668
2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-diphenylacetamide
CID 136686130
2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3H-quinazolin-4-one;hydrate;dihydrochloride
CID 136985359
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3H-quinazolin-4-one
CID 135415502

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-1-yloxyethylsulfanyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-naphthalen-1-yloxyethylsulfanyl)-3H-quinazolin-4-one (CID 135460544) is 2-(2-naphthalen-1-yloxyethylsulfanyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-naphthalen-1-yloxyethylsulfanyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-naphthalen-1-yloxyethylsulfanyl)-3H-quinazolin-4-one is O=c1[nH]c(SCCOc2cccc3ccccc23)nc2ccccc12.
What is the InChIKey of 2-(2-naphthalen-1-yloxyethylsulfanyl)-3H-quinazolin-4-one?
The InChIKey is NBEATQUIIJPQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c23-19-16-9-3-4-10-17(16)21-20(22-19)25-13-12-24-18-11-5-7-14-6-1-2-8-15(14)18/h1-11H,12-13H2,(H,21,22,23).
What are the key properties of 2-(2-naphthalen-1-yloxyethylsulfanyl)-3H-quinazolin-4-one?
2-(2-naphthalen-1-yloxyethylsulfanyl)-3H-quinazolin-4-one has a molecular weight of 348.43 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-1-yloxyethylsulfanyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135460544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).