N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C23H25N5O2S — CID 155946256

IUPACN-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1
InChIInChI=1S/C23H25N5O2S/c1-15(2)16-4-8-19(9-5-16)28-14-24-26-23(28)31-13-21(29)25-18-7-10-20-17(12-18)6-11-22(30)27(20)3/h4-5,7-10,12,14-15H,6,11,13H2,1-3H3,(H,25,29)
InChIKeySDHIDVLQAZQWEI-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.03
Rot. Bonds6

About N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 155946256) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID155946256
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC NameN-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1
InChIInChI=1S/C23H25N5O2S/c1-15(2)16-4-8-19(9-5-16)28-14-24-26-23(28)31-13-21(29)25-18-7-10-20-17(12-18)6-11-22(30)27(20)3/h4-5,7-10,12,14-15H,6,11,13H2,1-3H3,(H,25,29)
InChIKeySDHIDVLQAZQWEI-UHFFFAOYSA-N
XLogP4.03
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46643291
N-(3-methylphenyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 31775569
2-methyl-4-[[2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 56527774
2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 40583352
N-[3-[[2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39680225
N-(2-hydroxyethyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 78845436
N-(4-fluoro-2-methylphenyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 32689488
2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-propan-2-ylphenyl)acetamide
CID 55569442
N-(5-fluoro-2-pyridinyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 52871197
N-(4-propan-2-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7675740
N-(4-chlorophenyl)-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 31780140
N-[4-(hydroxymethyl)-3-pyridinyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 167845796

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 155946256) is N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1.
What is the InChIKey of N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is SDHIDVLQAZQWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-15(2)16-4-8-19(9-5-16)28-14-24-26-23(28)31-13-21(29)25-18-7-10-20-17(12-18)6-11-22(30)27(20)3/h4-5,7-10,12,14-15H,6,11,13H2,1-3H3,(H,25,29).
What are the key properties of N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 435.55 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 155946256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).