2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one

C15H10Cl2N2O2S2 — CID 27241325

IUPAC2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
SMILESCn1c(SCC(=O)c2cc(Cl)sc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C15H10Cl2N2O2S2/c1-19-14(21)8-4-2-3-5-10(8)18-15(19)22-7-11(20)9-6-12(16)23-13(9)17/h2-6H,7H2,1H3
InChIKeyBWXSKENCOPJIEA-UHFFFAOYSA-N
MW385.30 g/mol
LogP4.28
Rot. Bonds4

About 2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one

2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one (PubChem CID 27241325) has the molecular formula C15H10Cl2N2O2S2 and a molecular weight of 385.30 g/mol. Its IUPAC name is 2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
PubChem CID27241325
Molecular FormulaC15H10Cl2N2O2S2
Molecular Weight385.30 g/mol
Exact Mass383.96
IUPAC Name2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
SMILESCn1c(SCC(=O)c2cc(Cl)sc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C15H10Cl2N2O2S2/c1-19-14(21)8-4-2-3-5-10(8)18-15(19)22-7-11(20)9-6-12(16)23-13(9)17/h2-6H,7H2,1H3
InChIKeyBWXSKENCOPJIEA-UHFFFAOYSA-N
XLogP4.28
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 2624336
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 39417248
3-methyl-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
CID 2980541
3-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one
CID 2624307
3-methyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylquinazolin-4-one
CID 38834210
2-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 30475226
N-[3-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]acetamide
CID 39860948
N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3895819
2-[2-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 3538467
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 3505299
2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
CID 18196963
2-[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
CID 2358352

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one?
The IUPAC name of 2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one (CID 27241325) is 2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one?
The canonical SMILES for 2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one is Cn1c(SCC(=O)c2cc(Cl)sc2Cl)nc2ccccc2c1=O.
What is the InChIKey of 2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one?
The InChIKey is BWXSKENCOPJIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2S2/c1-19-14(21)8-4-2-3-5-10(8)18-15(19)22-7-11(20)9-6-12(16)23-13(9)17/h2-6H,7H2,1H3.
What are the key properties of 2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one?
2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one has a molecular weight of 385.30 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one is sourced from PubChem (CID 27241325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).