N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C24H20ClN3O3S — CID 986135

IUPACN-(3-chloro-4-methoxyphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C24H20ClN3O3S/c1-15-7-10-17(11-8-15)28-23(30)18-5-3-4-6-20(18)27-24(28)32-14-22(29)26-16-9-12-21(31-2)19(25)13-16/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyTVFHDFCSZQMNIF-UHFFFAOYSA-N
MW465.96 g/mol
LogP5.09
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 986135) has the molecular formula C24H20ClN3O3S and a molecular weight of 465.96 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID986135
Molecular FormulaC24H20ClN3O3S
Molecular Weight465.96 g/mol
Exact Mass465.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C24H20ClN3O3S/c1-15-7-10-17(11-8-15)28-23(30)18-5-3-4-6-20(18)27-24(28)32-14-22(29)26-16-9-12-21(31-2)19(25)13-16/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyTVFHDFCSZQMNIF-UHFFFAOYSA-N
XLogP5.09
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.96
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(acetylamino)phenyl]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
CID 1272945
N-(4-methoxyphenyl)-2-{[4-oxo-3-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydroquinazolin-2-yl]thio}acetamide
CID 3239130
3-(3-Chloro-4-methoxyphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 3450226
2-[(3-chloro-2-methylphenyl)amino]-N-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 16022565
3-(4-Chlorophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methylquinazolin-4-one
CID 134143531
6-Chloro-3-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 134146256
6-Chloro-2-[(4-methoxyphenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 134148589
6-Chloro-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 134155256
N-(4-ethoxyphenyl)-4-[[2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzamide
CID 135469434
N-(4-methoxyphenyl)-2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
CID 1148929
N-(3-chloro-4-methoxyphenyl)-4-(4-oxo-3,4-dihydroquinazolin-2-yl)butanamide
CID 135671605
3-(4-Chlorophenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-4(3H)-quinazolinone
CID 1158649

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 986135) is N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is TVFHDFCSZQMNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3S/c1-15-7-10-17(11-8-15)28-23(30)18-5-3-4-6-20(18)27-24(28)32-14-22(29)26-16-9-12-21(31-2)19(25)13-16/h3-13H,14H2,1-2H3,(H,26,29).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 465.96 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 986135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).