2-ethoxyethyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate

C20H20N2O4S — CID 14947183

IUPAC2-ethoxyethyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate
SMILESCCOCCOC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C20H20N2O4S/c1-2-25-12-13-26-18(23)14-27-20-21-17-11-7-6-10-16(17)19(24)22(20)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3
InChIKeyOHGTWYFPCRLHHY-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.06
Rot. Bonds8

About 2-ethoxyethyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate

2-ethoxyethyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate (PubChem CID 14947183) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-ethoxyethyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate.

Molecular Properties

Compound Name2-ethoxyethyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate
PubChem CID14947183
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name2-ethoxyethyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate
SMILESCCOCCOC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C20H20N2O4S/c1-2-25-12-13-26-18(23)14-27-20-21-17-11-7-6-10-16(17)19(24)22(20)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3
InChIKeyOHGTWYFPCRLHHY-UHFFFAOYSA-N
XLogP3.06
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.06
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

2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 680931
methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate
CID 18074079
methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate
CID 17403778
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 1071935
2-(2-phenoxyethylsulfanyl)-3-phenylquinazolin-4-one
CID 3967996
N,N-diethyl-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1272963
3-(4-methylphenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 2084795
methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 1432217
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pentan-2-ylacetamide
CID 3376172
6-bromo-2-(2-ethoxyethylsulfanyl)-3-phenylquinazolin-4-one
CID 7876774
2-[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
CID 2358352
2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid
CID 3480779

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate?
The IUPAC name of 2-ethoxyethyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate (CID 14947183) is 2-ethoxyethyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate.
What is the SMILES notation for 2-ethoxyethyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate?
The canonical SMILES for 2-ethoxyethyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate is CCOCCOC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-ethoxyethyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate?
The InChIKey is OHGTWYFPCRLHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-2-25-12-13-26-18(23)14-27-20-21-17-11-7-6-10-16(17)19(24)22(20)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3.
What are the key properties of 2-ethoxyethyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate?
2-ethoxyethyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate has a molecular weight of 384.46 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate is sourced from PubChem (CID 14947183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).