1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone

C24H16Cl2N2O2S2 — CID 2826033

IUPAC1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone
SMILESO=C(CSc1nc(SCC(=O)c2ccc(Cl)cc2)c2ccccc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C24H16Cl2N2O2S2/c25-17-9-5-15(6-10-17)21(29)13-31-23-19-3-1-2-4-20(19)27-24(28-23)32-14-22(30)16-7-11-18(26)12-8-16/h1-12H,13-14H2
InChIKeyWITDFLZZOIXBFP-UHFFFAOYSA-N
MW499.44 g/mol
LogP6.89
Rot. Bonds8

About 1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone

1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone (PubChem CID 2826033) has the molecular formula C24H16Cl2N2O2S2 and a molecular weight of 499.44 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone
PubChem CID2826033
Molecular FormulaC24H16Cl2N2O2S2
Molecular Weight499.44 g/mol
Exact Mass498.00
IUPAC Name1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone
SMILESO=C(CSc1nc(SCC(=O)c2ccc(Cl)cc2)c2ccccc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C24H16Cl2N2O2S2/c25-17-9-5-15(6-10-17)21(29)13-31-23-19-3-1-2-4-20(19)27-24(28-23)32-14-22(30)16-7-11-18(26)12-8-16/h1-12H,13-14H2
InChIKeyWITDFLZZOIXBFP-UHFFFAOYSA-N
XLogP6.89
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.44
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7145313
3-[(2S)-butan-2-yl]-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 2624377
1-(2,5-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7996691
1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone
CID 39005978
1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7145374
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-naphthalen-1-yl-4-phenylpyridine-3-carbonitrile
CID 3292425
methyl 2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate
CID 8868469
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 746135
1-(4-chlorophenyl)-2-(2-methylsulfanylquinazolin-4-yl)oxyethanone
CID 95923404
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone
CID 2595063

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone (CID 2826033) is 1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone is O=C(CSc1nc(SCC(=O)c2ccc(Cl)cc2)c2ccccc2n1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone?
The InChIKey is WITDFLZZOIXBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N2O2S2/c25-17-9-5-15(6-10-17)21(29)13-31-23-19-3-1-2-4-20(19)27-24(28-23)32-14-22(30)16-7-11-18(26)12-8-16/h1-12H,13-14H2.
What are the key properties of 1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone?
1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone has a molecular weight of 499.44 g/mol, XLogP of 6.89, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone is sourced from PubChem (CID 2826033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).