1-(4-chlorophenyl)-2-(2-methylsulfanylquinazolin-4-yl)oxyethanone

C17H13ClN2O2S — CID 95923404

IUPAC1-(4-chlorophenyl)-2-(2-methylsulfanylquinazolin-4-yl)oxyethanone
SMILESCSc1nc(OCC(=O)c2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C17H13ClN2O2S/c1-23-17-19-14-5-3-2-4-13(14)16(20-17)22-10-15(21)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3
InChIKeyUKNUSCFEJXEEOA-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.27
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(2-methylsulfanylquinazolin-4-yl)oxyethanone

1-(4-chlorophenyl)-2-(2-methylsulfanylquinazolin-4-yl)oxyethanone (PubChem CID 95923404) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2-methylsulfanylquinazolin-4-yl)oxyethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2-methylsulfanylquinazolin-4-yl)oxyethanone
PubChem CID95923404
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name1-(4-chlorophenyl)-2-(2-methylsulfanylquinazolin-4-yl)oxyethanone
SMILESCSc1nc(OCC(=O)c2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C17H13ClN2O2S/c1-23-17-19-14-5-3-2-4-13(14)16(20-17)22-10-15(21)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3
InChIKeyUKNUSCFEJXEEOA-UHFFFAOYSA-N
XLogP4.27
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone
CID 2826033
[2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 882322
4-(4-chlorophenyl)sulfanyl-2-methylsulfanylquinazoline
CID 1479841
2-(3-acetyl-6-chloro-4-phenylquinolin-2-yl)oxy-1-phenylethanone
CID 16585350
1-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanylethanone
CID 3623419
1-(4-chlorophenyl)-2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylethanone
CID 4548502
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412426
2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone
CID 134064664
methyl 2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate
CID 8868469
1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412672
[2-(4-chlorophenyl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135445852

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2-methylsulfanylquinazolin-4-yl)oxyethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(2-methylsulfanylquinazolin-4-yl)oxyethanone (CID 95923404) is 1-(4-chlorophenyl)-2-(2-methylsulfanylquinazolin-4-yl)oxyethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2-methylsulfanylquinazolin-4-yl)oxyethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2-methylsulfanylquinazolin-4-yl)oxyethanone is CSc1nc(OCC(=O)c2ccc(Cl)cc2)c2ccccc2n1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2-methylsulfanylquinazolin-4-yl)oxyethanone?
The InChIKey is UKNUSCFEJXEEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c1-23-17-19-14-5-3-2-4-13(14)16(20-17)22-10-15(21)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2-methylsulfanylquinazolin-4-yl)oxyethanone?
1-(4-chlorophenyl)-2-(2-methylsulfanylquinazolin-4-yl)oxyethanone has a molecular weight of 344.82 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2-methylsulfanylquinazolin-4-yl)oxyethanone is sourced from PubChem (CID 95923404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).