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

C25H25N7O2S — CID 3265471

IUPACN-(2-ethoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc2ccccc2c2nc(CCn3cncc3C)nn12
InChIInChI=1S/C25H25N7O2S/c1-3-34-21-11-7-6-10-20(21)27-23(33)15-35-25-28-19-9-5-4-8-18(19)24-29-22(30-32(24)25)12-13-31-16-26-14-17(31)2/h4-11,14,16H,3,12-13,15H2,1-2H3,(H,27,33)
InChIKeyYTLHDTMWOGQRNV-UHFFFAOYSA-N
MW487.59 g/mol
LogP4.15
Rot. Bonds9

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

N-(2-ethoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide (PubChem CID 3265471) has the molecular formula C25H25N7O2S and a molecular weight of 487.59 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide
PubChem CID3265471
Molecular FormulaC25H25N7O2S
Molecular Weight487.59 g/mol
Exact Mass487.18
IUPAC NameN-(2-ethoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc2ccccc2c2nc(CCn3cncc3C)nn12
InChIInChI=1S/C25H25N7O2S/c1-3-34-21-11-7-6-10-20(21)27-23(33)15-35-25-28-19-9-5-4-8-18(19)24-29-22(30-32(24)25)12-13-31-16-26-14-17(31)2/h4-11,14,16H,3,12-13,15H2,1-2H3,(H,27,33)
InChIKeyYTLHDTMWOGQRNV-UHFFFAOYSA-N
XLogP4.15
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-Ethoxyphenyl)-2-((4-ET-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
CID 662347
7-Methoxy-2-methyl-5-((1-methyl-4-phenyl-1H-imidazol-2-ylthio)methyl)pyrazolo[1,5-c]quinazoline
CID 53321175
8-Methoxy-2-methyl-5-((1-methyl-4-phenyl-1H-imidazol-2-ylthio)methyl)pyrazolo[1,5-c]quinazoline
CID 53323878
7-Methoxy-2-methyl-5-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)pyrazolo[1,5-c]quinazoline
CID 53325521
5-((4-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-yl)methylthio)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 54580515
4-Methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one
CID 86291933
9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one
CID 86292125
9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one
CID 86292126
4-(2-Methoxyethyl)-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one
CID 86292127
N-(2-Ethoxy-phenyl)-2-(3-methyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetamide
CID 650019
N-(2-methoxyphenyl)-2-{[5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
CID 3237765
N-(2-furylmethyl)-2-({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}thio)acetamide
CID 3238262

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-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-(2-ethoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide (CID 3265471) is N-(2-ethoxyphenyl)-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-(2-ethoxyphenyl)-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-(2-ethoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide is CCOc1ccccc1NC(=O)CSc1nc2ccccc2c2nc(CCn3cncc3C)nn12.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide?
The InChIKey is YTLHDTMWOGQRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2S/c1-3-34-21-11-7-6-10-20(21)27-23(33)15-35-25-28-19-9-5-4-8-18(19)24-29-22(30-32(24)25)12-13-31-16-26-14-17(31)2/h4-11,14,16H,3,12-13,15H2,1-2H3,(H,27,33).
What are the key properties of N-(2-ethoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide?
N-(2-ethoxyphenyl)-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 487.59 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-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 3265471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).