N-(3-chlorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide

C23H20ClN7OS — CID 3265247

IUPACN-(3-chlorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESCc1cncn1CCc1nc2c3ccccc3nc(SCC(=O)Nc3cccc(Cl)c3)n2n1
InChIInChI=1S/C23H20ClN7OS/c1-15-12-25-14-30(15)10-9-20-28-22-18-7-2-3-8-19(18)27-23(31(22)29-20)33-13-21(32)26-17-6-4-5-16(24)11-17/h2-8,11-12,14H,9-10,13H2,1H3,(H,26,32)
InChIKeyWGWKZRBUEGAIQL-UHFFFAOYSA-N
MW477.98 g/mol
LogP4.41
Rot. Bonds7

About N-(3-chlorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide

N-(3-chlorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide (PubChem CID 3265247) has the molecular formula C23H20ClN7OS and a molecular weight of 477.98 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide
PubChem CID3265247
Molecular FormulaC23H20ClN7OS
Molecular Weight477.98 g/mol
Exact Mass477.11
IUPAC NameN-(3-chlorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESCc1cncn1CCc1nc2c3ccccc3nc(SCC(=O)Nc3cccc(Cl)c3)n2n1
InChIInChI=1S/C23H20ClN7OS/c1-15-12-25-14-30(15)10-9-20-28-22-18-7-2-3-8-19(18)27-23(31(22)29-20)33-13-21(32)26-17-6-4-5-16(24)11-17/h2-8,11-12,14H,9-10,13H2,1H3,(H,26,32)
InChIKeyWGWKZRBUEGAIQL-UHFFFAOYSA-N
XLogP4.41
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.98
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide (CID 3265247) is N-(3-chlorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide is Cc1cncn1CCc1nc2c3ccccc3nc(SCC(=O)Nc3cccc(Cl)c3)n2n1.
What is the InChIKey of N-(3-chlorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide?
The InChIKey is WGWKZRBUEGAIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7OS/c1-15-12-25-14-30(15)10-9-20-28-22-18-7-2-3-8-19(18)27-23(31(22)29-20)33-13-21(32)26-17-6-4-5-16(24)11-17/h2-8,11-12,14H,9-10,13H2,1H3,(H,26,32).
What are the key properties of N-(3-chlorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide?
N-(3-chlorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide has a molecular weight of 477.98 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 3265247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).