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

C25H22ClN3O2S — CID 23938230

IUPACN-(4-chlorophenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
SMILESCC(C)c1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H22ClN3O2S/c1-16(2)17-7-13-20(14-8-17)29-24(31)21-5-3-4-6-22(21)28-25(29)32-15-23(30)27-19-11-9-18(26)10-12-19/h3-14,16H,15H2,1-2H3,(H,27,30)
InChIKeyAHZOHYPAORLHOI-UHFFFAOYSA-N
MW463.99 g/mol
LogP5.89
Rot. Bonds6

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

N-(4-chlorophenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide (PubChem CID 23938230) has the molecular formula C25H22ClN3O2S and a molecular weight of 463.99 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
PubChem CID23938230
Molecular FormulaC25H22ClN3O2S
Molecular Weight463.99 g/mol
Exact Mass463.11
IUPAC NameN-(4-chlorophenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
SMILESCC(C)c1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H22ClN3O2S/c1-16(2)17-7-13-20(14-8-17)29-24(31)21-5-3-4-6-22(21)28-25(29)32-15-23(30)27-19-11-9-18(26)10-12-19/h3-14,16H,15H2,1-2H3,(H,27,30)
InChIKeyAHZOHYPAORLHOI-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

2-[3-(4-nitrophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 2385692
2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)acetamide
CID 23987441
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 986884
2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 16538608
N-(4-acetamidophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4543308
2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 23931652
N-(4-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16538626
N-(4-acetamidophenyl)-2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 2084367
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 53366366
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-2-ylacetamide
CID 5009022
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 3621566
N-(4-chloro-2-fluorophenyl)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3951706

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide (CID 23938230) is N-(4-chlorophenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide is CC(C)c1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is AHZOHYPAORLHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2S/c1-16(2)17-7-13-20(14-8-17)29-24(31)21-5-3-4-6-22(21)28-25(29)32-15-23(30)27-19-11-9-18(26)10-12-19/h3-14,16H,15H2,1-2H3,(H,27,30).
What are the key properties of N-(4-chlorophenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide?
N-(4-chlorophenyl)-2-[4-oxo-3-(4-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-(4-chlorophenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 23938230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).