N-(3-chlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide

C25H22ClN3O2S — CID 23931253

IUPACN-(3-chlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
SMILESCC(C)c1ccccc1-n1c(SCC(=O)Nc2cccc(Cl)c2)nc2ccccc2c1=O
InChIInChI=1S/C25H22ClN3O2S/c1-16(2)19-10-4-6-13-22(19)29-24(31)20-11-3-5-12-21(20)28-25(29)32-15-23(30)27-18-9-7-8-17(26)14-18/h3-14,16H,15H2,1-2H3,(H,27,30)
InChIKeyZGLIHWSGOKGZAI-UHFFFAOYSA-N
MW463.99 g/mol
LogP5.89
Rot. Bonds6

About N-(3-chlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide

N-(3-chlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide (PubChem CID 23931253) has the molecular formula C25H22ClN3O2S and a molecular weight of 463.99 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
PubChem CID23931253
Molecular FormulaC25H22ClN3O2S
Molecular Weight463.99 g/mol
Exact Mass463.11
IUPAC NameN-(3-chlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
SMILESCC(C)c1ccccc1-n1c(SCC(=O)Nc2cccc(Cl)c2)nc2ccccc2c1=O
InChIInChI=1S/C25H22ClN3O2S/c1-16(2)19-10-4-6-13-22(19)29-24(31)20-11-3-5-12-21(20)28-25(29)32-15-23(30)27-18-9-7-8-17(26)14-18/h3-14,16H,15H2,1-2H3,(H,27,30)
InChIKeyZGLIHWSGOKGZAI-UHFFFAOYSA-N
XLogP5.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.99
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 23855223
N-(3-ethylphenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 23798479
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 23741013
N-(4-chloro-3-nitrophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 23798903
4-[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzamide
CID 16533660
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 4262628
2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide
CID 41114193
N-(3-chlorophenyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2521955
2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 7804645
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-prop-2-enylacetamide
CID 2600171
2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 23960163
2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide
CID 16532628

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide (CID 23931253) is N-(3-chlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide is CC(C)c1ccccc1-n1c(SCC(=O)Nc2cccc(Cl)c2)nc2ccccc2c1=O.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is ZGLIHWSGOKGZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2S/c1-16(2)19-10-4-6-13-22(19)29-24(31)20-11-3-5-12-21(20)28-25(29)32-15-23(30)27-18-9-7-8-17(26)14-18/h3-14,16H,15H2,1-2H3,(H,27,30).
What are the key properties of N-(3-chlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide?
N-(3-chlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 463.99 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 23931253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).