N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C24H20Cl2N4O2S — CID 16570386

IUPACN-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCc1ccc(C)c(-n2c(SCC(=O)Nc3ncc(Cl)c(C)c3Cl)nc3ccccc3c2=O)c1
InChIInChI=1S/C24H20Cl2N4O2S/c1-13-8-9-14(2)19(10-13)30-23(32)16-6-4-5-7-18(16)28-24(30)33-12-20(31)29-22-21(26)15(3)17(25)11-27-22/h4-11H,12H2,1-3H3,(H,27,29,31)
InChIKeyGOZBCZAYWLPORU-UHFFFAOYSA-N
MW499.42 g/mol
LogP5.74
Rot. Bonds5

About N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 16570386) has the molecular formula C24H20Cl2N4O2S and a molecular weight of 499.42 g/mol. Its IUPAC name is N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID16570386
Molecular FormulaC24H20Cl2N4O2S
Molecular Weight499.42 g/mol
Exact Mass498.07
IUPAC NameN-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCc1ccc(C)c(-n2c(SCC(=O)Nc3ncc(Cl)c(C)c3Cl)nc3ccccc3c2=O)c1
InChIInChI=1S/C24H20Cl2N4O2S/c1-13-8-9-14(2)19(10-13)30-23(32)16-6-4-5-7-18(16)28-24(30)33-12-20(31)29-22-21(26)15(3)17(25)11-27-22/h4-11H,12H2,1-3H3,(H,27,29,31)
InChIKeyGOZBCZAYWLPORU-UHFFFAOYSA-N
XLogP5.74
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.42
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide with MolForge

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Related Compounds

N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1432211
2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
CID 31673280
N-(3,5-dichloro-2-pyridinyl)-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2416685
N-carbamoyl-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7896152
N-(3,5-dichloro-2-pyridinyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2386753
N-(3,5-dichloro-2-pyridinyl)-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2428295
2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methyl-4-nitrophenyl)acetamide
CID 16958987
N-(2,6-dichlorophenyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 23961826
N-(2-chloro-3-pyridinyl)-2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4827405
N-(2-chloro-4-methylphenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 112784018
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide
CID 16538288
N-(3-chloro-4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1304820

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 16570386) is N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is Cc1ccc(C)c(-n2c(SCC(=O)Nc3ncc(Cl)c(C)c3Cl)nc3ccccc3c2=O)c1.
What is the InChIKey of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is GOZBCZAYWLPORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O2S/c1-13-8-9-14(2)19(10-13)30-23(32)16-6-4-5-7-18(16)28-24(30)33-12-20(31)29-22-21(26)15(3)17(25)11-27-22/h4-11H,12H2,1-3H3,(H,27,29,31).
What are the key properties of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 499.42 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 16570386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).