N-(5-chloro-2-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide

C24H18ClN5O2S — CID 3511066

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c2nc(-c3ccccc3)nn12
InChIInChI=1S/C24H18ClN5O2S/c1-32-20-12-11-16(25)13-19(20)26-21(31)14-33-24-27-18-10-6-5-9-17(18)23-28-22(29-30(23)24)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,26,31)
InChIKeyCDANFFIONFJMQY-UHFFFAOYSA-N
MW475.96 g/mol
LogP5.34
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide (PubChem CID 3511066) has the molecular formula C24H18ClN5O2S and a molecular weight of 475.96 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
PubChem CID3511066
Molecular FormulaC24H18ClN5O2S
Molecular Weight475.96 g/mol
Exact Mass475.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c2nc(-c3ccccc3)nn12
InChIInChI=1S/C24H18ClN5O2S/c1-32-20-12-11-16(25)13-19(20)26-21(31)14-33-24-27-18-10-6-5-9-17(18)23-28-22(29-30(23)24)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,26,31)
InChIKeyCDANFFIONFJMQY-UHFFFAOYSA-N
XLogP5.34
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.96
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-chloro-2-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide (CID 3511066) is N-(5-chloro-2-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide is COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c2nc(-c3ccccc3)nn12.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide?
The InChIKey is CDANFFIONFJMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O2S/c1-32-20-12-11-16(25)13-19(20)26-21(31)14-33-24-27-18-10-6-5-9-17(18)23-28-22(29-30(23)24)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,26,31).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide has a molecular weight of 475.96 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 3511066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).