2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide

C23H17ClFN3O2S — CID 16538288

IUPAC2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2Cl)c(F)c1
InChIInChI=1S/C23H17ClFN3O2S/c1-14-10-11-19(17(25)12-14)26-21(29)13-31-23-27-18-8-4-2-6-15(18)22(30)28(23)20-9-5-3-7-16(20)24/h2-12H,13H2,1H3,(H,26,29)
InChIKeyHJFVGFHPESFSLF-UHFFFAOYSA-N
MW453.93 g/mol
LogP5.22
Rot. Bonds5

About 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide

2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide (PubChem CID 16538288) has the molecular formula C23H17ClFN3O2S and a molecular weight of 453.93 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide
PubChem CID16538288
Molecular FormulaC23H17ClFN3O2S
Molecular Weight453.93 g/mol
Exact Mass453.07
IUPAC Name2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2Cl)c(F)c1
InChIInChI=1S/C23H17ClFN3O2S/c1-14-10-11-19(17(25)12-14)26-21(29)13-31-23-27-18-8-4-2-6-15(18)22(30)28(23)20-9-5-3-7-16(20)24/h2-12H,13H2,1H3,(H,26,29)
InChIKeyHJFVGFHPESFSLF-UHFFFAOYSA-N
XLogP5.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.93
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 5009537
2-[3-(3-chloro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide
CID 23735409
N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1432211
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 16538297
N-(4-chloro-2-fluorophenyl)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3951706
N-(4-chloro-2-fluorophenyl)-2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16500284
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 4262628
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide
CID 16542453
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide
CID 8980245
N-(2,3-dichlorophenyl)-2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3641559
N-(2-chloro-4-methylphenyl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 112783686
N-(2-chloro-3-pyridinyl)-2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4827405

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide (CID 16538288) is 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2Cl)c(F)c1.
What is the InChIKey of 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide?
The InChIKey is HJFVGFHPESFSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O2S/c1-14-10-11-19(17(25)12-14)26-21(29)13-31-23-27-18-8-4-2-6-15(18)22(30)28(23)20-9-5-3-7-16(20)24/h2-12H,13H2,1H3,(H,26,29).
What are the key properties of 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide?
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide has a molecular weight of 453.93 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 16538288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).