2-(2-ethoxyethylsulfanyl)-3-[(4-methoxyphenyl)methyl]quinazolin-4-one

C20H22N2O3S — CID 8634246

IUPAC2-(2-ethoxyethylsulfanyl)-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
SMILESCCOCCSc1nc2ccccc2c(=O)n1Cc1ccc(OC)cc1
InChIInChI=1S/C20H22N2O3S/c1-3-25-12-13-26-20-21-18-7-5-4-6-17(18)19(23)22(20)14-15-8-10-16(24-2)11-9-15/h4-11H,3,12-14H2,1-2H3
InChIKeyAYSCHLKMWSTIEN-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.58
Rot. Bonds8

About 2-(2-ethoxyethylsulfanyl)-3-[(4-methoxyphenyl)methyl]quinazolin-4-one

2-(2-ethoxyethylsulfanyl)-3-[(4-methoxyphenyl)methyl]quinazolin-4-one (PubChem CID 8634246) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-(2-ethoxyethylsulfanyl)-3-[(4-methoxyphenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name2-(2-ethoxyethylsulfanyl)-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
PubChem CID8634246
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name2-(2-ethoxyethylsulfanyl)-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
SMILESCCOCCSc1nc2ccccc2c(=O)n1Cc1ccc(OC)cc1
InChIInChI=1S/C20H22N2O3S/c1-3-25-12-13-26-20-21-18-7-5-4-6-17(18)19(23)22(20)14-15-8-10-16(24-2)11-9-15/h4-11H,3,12-14H2,1-2H3
InChIKeyAYSCHLKMWSTIEN-UHFFFAOYSA-N
XLogP3.58
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.58
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-[(4-methoxyphenyl)methyl]-2-(2-phenylethylsulfanyl)quinazolin-4-one
CID 51365408
2-[2-(4-methylphenoxy)ethylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 7227057
2-[(2-chlorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 51365422
3-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]quinazolin-4-one
CID 51365410
N-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 8634205
3-[(4-methoxyphenyl)methyl]-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 46531309
3-benzyl-2-(3-phenoxypropylsulfanyl)quinazolin-4-one
CID 7626724
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one
CID 3483877
3-[(4-methoxyphenyl)methyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 31057143
2-cyclopentylsulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 60620109
2-ethylsulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
CID 2086040
2-[2-(4-methoxyphenyl)ethylsulfanyl]-3-prop-2-enylquinazolin-4-one
CID 2662516

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylsulfanyl)-3-[(4-methoxyphenyl)methyl]quinazolin-4-one?
The IUPAC name of 2-(2-ethoxyethylsulfanyl)-3-[(4-methoxyphenyl)methyl]quinazolin-4-one (CID 8634246) is 2-(2-ethoxyethylsulfanyl)-3-[(4-methoxyphenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 2-(2-ethoxyethylsulfanyl)-3-[(4-methoxyphenyl)methyl]quinazolin-4-one?
The canonical SMILES for 2-(2-ethoxyethylsulfanyl)-3-[(4-methoxyphenyl)methyl]quinazolin-4-one is CCOCCSc1nc2ccccc2c(=O)n1Cc1ccc(OC)cc1.
What is the InChIKey of 2-(2-ethoxyethylsulfanyl)-3-[(4-methoxyphenyl)methyl]quinazolin-4-one?
The InChIKey is AYSCHLKMWSTIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-3-25-12-13-26-20-21-18-7-5-4-6-17(18)19(23)22(20)14-15-8-10-16(24-2)11-9-15/h4-11H,3,12-14H2,1-2H3.
What are the key properties of 2-(2-ethoxyethylsulfanyl)-3-[(4-methoxyphenyl)methyl]quinazolin-4-one?
2-(2-ethoxyethylsulfanyl)-3-[(4-methoxyphenyl)methyl]quinazolin-4-one has a molecular weight of 370.47 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylsulfanyl)-3-[(4-methoxyphenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 8634246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).